 
data_sl97 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Cs11 O3 Tl0' 
_chemical_formula_weight          1510.01 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Cs'  'Cs'  -0.3680   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Tl'  'Tl'  -2.8358   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    17.765(5) 
_cell_length_b                    9.2995(15) 
_cell_length_c                    24.256(6) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  100.23(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      3943.5(15) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.543 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2516 
_exptl_absorpt_coefficient_mu     10.029 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             13869 
_diffrn_reflns_av_R_equivalents   0.3009 
_diffrn_reflns_av_sigmaI/netI     0.3500 
_diffrn_reflns_limit_h_min        -19 
_diffrn_reflns_limit_h_max        18 
_diffrn_reflns_limit_k_min        -9 
_diffrn_reflns_limit_k_max        9 
_diffrn_reflns_limit_l_min        -26 
_diffrn_reflns_limit_l_max        26 
_diffrn_reflns_theta_min          1.89 
_diffrn_reflns_theta_max          22.50 
_reflns_number_total              5017 
_reflns_number_gt                 1310 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.1026P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00010(6) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          5017 
_refine_ls_number_parameters      129 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.3877 
_refine_ls_R_factor_gt            0.1702 
_refine_ls_wR_factor_ref          0.3547 
_refine_ls_wR_factor_gt           0.2831 
_refine_ls_goodness_of_fit_ref    0.992 
_refine_ls_restrained_S_all       0.992 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Cs1 Cs 0.3035(3) 0.0199(5) 0.3407(2) 0.0925(17) Uani 1 1 d . . . 
Cs2 Cs 0.2204(3) 0.3830(5) 0.32304(19) 0.0910(17) Uani 1 1 d . . . 
Cs3 Cs 0.0673(3) 0.3038(8) 0.4320(2) 0.147(3) Uani 1 1 d . . . 
Cs4 Cs 0.3154(3) 0.2622(7) 0.46837(19) 0.126(2) Uani 1 1 d . . . 
Cs5 Cs 0.5250(3) 0.1689(9) 0.4012(3) 0.155(3) Uani 1 1 d . . . 
Cs6 Cs 0.1623(4) -0.1031(7) 0.4539(3) 0.154(3) Uani 1 1 d . . . 
Cs7 Cs 0.0925(3) 0.0577(8) 0.2831(2) 0.135(3) Uani 1 1 d . . . 
Cs8 Cs 0.3790(3) 0.2789(7) 0.2431(2) 0.136(3) Uani 1 1 d . . . 
Cs9 Cs 0.2385(5) -0.0793(9) 0.1698(3) 0.175(3) Uani 1 1 d . . . 
Cs10 Cs 0.1511(5) 0.3280(11) 0.1517(3) 0.208(4) Uani 1 1 d . . . 
Cs11 Cs 0.4362(5) 0.5690(8) 0.3822(4) 0.184(3) Uani 1 1 d . . . 
O1 O 0.178(2) 0.139(5) 0.3957(12) 0.086(16) Uani 1 1 d . . . 
O2 O 0.219(2) 0.149(6) 0.2336(12) 0.11(2) Uani 1 1 d . . . 
O3 O 0.384(3) 0.295(6) 0.3671(17) 0.12(2) Uani 1 1 d . . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Cs1 O3 2.95(4) . ? 
Cs1 O1 3.00(3) . ? 
Cs1 O2 3.01(4) . ? 
Cs1 Cs2 3.680(7) . ? 
Cs1 Cs7 3.778(8) . ? 
Cs1 Cs8 3.786(7) . ? 
Cs1 Cs4 3.805(7) . ? 
Cs1 Cs5 4.183(9) . ? 
Cs1 Cs6 4.193(7) . ? 
Cs1 Cs9 4.205(8) . ? 
Cs1 Cs11 4.828(10) 1_545 ? 
Cs1 Cs11 5.639(8) . ? 
Cs2 O3 3.03(5) . ? 
Cs2 O1 3.04(4) . ? 
Cs2 O2 3.07(4) . ? 
Cs2 Cs4 3.798(7) . ? 
Cs2 Cs7 3.805(8) . ? 
Cs2 Cs8 3.818(7) . ? 
Cs2 Cs10 4.152(8) . ? 
Cs2 Cs3 4.181(7) . ? 
Cs2 Cs11 4.218(9) . ? 
Cs2 Cs6 5.721(8) . ? 
Cs2 Cs9 5.730(8) . ? 
Cs3 O1 2.76(4) . ? 
Cs3 Cs6 4.138(10) . ? 
Cs3 Cs4 4.355(8) . ? 
Cs3 Cs7 4.367(8) . ? 
Cs3 Cs10 5.411(9) 4_566 ? 
Cs3 Cs6 5.638(8) 3_556 ? 
Cs3 Cs9 5.660(10) 2 ? 
Cs3 Cs3 5.719(11) 3_566 ? 
Cs3 Cs6 5.765(11) 1_565 ? 
Cs4 O3 2.95(4) . ? 
Cs4 O1 2.97(4) . ? 
Cs4 Cs11 4.325(9) . ? 
Cs4 Cs6 4.327(9) . ? 
Cs4 Cs5 4.407(8) . ? 
Cs4 Cs11 5.422(10) 3_666 ? 
Cs4 Cs5 5.562(10) 3_656 ? 
Cs4 Cs7 5.760(8) . ? 
Cs4 Cs8 5.775(7) . ? 
Cs5 O3 2.75(6) . ? 
Cs5 Cs11 4.035(11) . ? 
Cs5 Cs8 4.353(9) . ? 
Cs5 Cs9 5.354(10) 2_655 ? 
Cs5 Cs8 5.517(9) 2_645 ? 
Cs5 Cs4 5.562(10) 3_656 ? 
Cs5 Cs11 5.721(11) 3_666 ? 
Cs5 Cs11 5.794(11) 1_545 ? 
Cs6 O1 2.70(5) . ? 
Cs6 Cs7 4.372(9) . ? 
Cs6 Cs10 5.471(9) 4_566 ? 
Cs6 Cs3 5.638(8) 3_556 ? 
Cs6 Cs10 5.736(12) 2_545 ? 
Cs6 Cs3 5.765(11) 1_545 ? 
Cs7 O2 2.87(4) . ? 
Cs7 O1 2.98(3) . ? 
Cs7 Cs9 4.295(8) . ? 
Cs7 Cs10 4.329(10) . ? 
Cs7 Cs10 5.312(10) 2_545 ? 
Cs7 Cs8 5.730(8) . ? 
Cs7 Cs7 5.754(7) 2_545 ? 
Cs7 Cs7 5.754(7) 2 ? 
Cs8 O3 3.00(4) . ? 
Cs8 O2 3.05(4) . ? 
Cs8 Cs10 4.281(11) . ? 
Cs8 Cs11 4.298(10) . ? 
Cs8 Cs9 4.349(10) . ? 
Cs8 Cs11 5.232(9) 2_645 ? 
Cs8 Cs5 5.517(9) 2_655 ? 
Cs9 O2 2.68(5) . ? 
Cs9 Cs10 4.088(13) . ? 
Cs9 Cs5 5.354(10) 2_645 ? 
Cs9 Cs3 5.660(10) 2_545 ? 
Cs9 Cs10 5.722(13) 1_545 ? 
Cs10 O2 2.71(5) . ? 
Cs10 Cs7 5.312(10) 2 ? 
Cs10 Cs3 5.411(9) 4_565 ? 
Cs10 Cs6 5.471(9) 4_565 ? 
Cs10 Cs9 5.722(13) 1_565 ? 
Cs10 Cs6 5.736(12) 2 ? 
Cs10 Cs4 5.797(9) 4_565 ? 
Cs11 O3 2.71(5) . ? 
Cs11 Cs1 4.828(10) 1_565 ? 
Cs11 Cs8 5.232(9) 2_655 ? 
Cs11 Cs4 5.422(10) 3_666 ? 
Cs11 Cs5 5.721(11) 3_666 ? 
Cs11 Cs5 5.794(11) 1_565 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O3 Cs1 O1 87.3(13) . . ? 
O3 Cs1 O2 89.4(14) . . ? 
O1 Cs1 O2 86.7(10) . . ? 
O3 Cs1 Cs2 53.1(11) . . ? 
O1 Cs1 Cs2 53.0(9) . . ? 
O2 Cs1 Cs2 53.5(10) . . ? 
O3 Cs1 Cs7 114.4(11) . . ? 
O1 Cs1 Cs7 50.6(6) . . ? 
O2 Cs1 Cs7 48.3(7) . . ? 
Cs2 Cs1 Cs7 61.33(16) . . ? 
O3 Cs1 Cs8 51.0(8) . . ? 
O1 Cs1 Cs8 114.5(9) . . ? 
O2 Cs1 Cs8 51.9(8) . . ? 
Cs2 Cs1 Cs8 61.49(14) . . ? 
Cs7 Cs1 Cs8 98.49(17) . . ? 
O3 Cs1 Cs4 49.8(8) . . ? 
O1 Cs1 Cs4 50.0(7) . . ? 
O2 Cs1 Cs4 114.5(10) . . ? 
Cs2 Cs1 Cs4 60.96(14) . . ? 
Cs7 Cs1 Cs4 98.87(16) . . ? 
Cs8 Cs1 Cs4 99.06(18) . . ? 
O3 Cs1 Cs5 40.9(11) . . ? 
O1 Cs1 Cs5 116.5(7) . . ? 
O2 Cs1 Cs5 117.6(8) . . ? 
Cs2 Cs1 Cs5 94.01(17) . . ? 
Cs7 Cs1 Cs5 155.3(2) . . ? 
Cs8 Cs1 Cs5 66.00(16) . . ? 
Cs4 Cs1 Cs5 66.77(15) . . ? 
O3 Cs1 Cs6 114.8(8) . . ? 
O1 Cs1 Cs6 40.0(9) . . ? 
O2 Cs1 Cs6 114.3(7) . . ? 
Cs2 Cs1 Cs6 93.00(15) . . ? 
Cs7 Cs1 Cs6 66.29(15) . . ? 
Cs8 Cs1 Cs6 154.49(19) . . ? 
Cs4 Cs1 Cs6 65.30(15) . . ? 
Cs5 Cs1 Cs6 119.70(19) . . ? 
O3 Cs1 Cs9 116.3(8) . . ? 
O1 Cs1 Cs9 115.1(7) . . ? 
O2 Cs1 Cs9 39.5(10) . . ? 
Cs2 Cs1 Cs9 92.99(17) . . ? 
Cs7 Cs1 Cs9 64.83(16) . . ? 
Cs8 Cs1 Cs9 65.70(16) . . ? 
Cs4 Cs1 Cs9 153.9(2) . . ? 
Cs5 Cs1 Cs9 119.67(17) . . ? 
Cs6 Cs1 Cs9 119.6(2) . . ? 
O3 Cs1 Cs11 120.5(11) . 1_545 ? 
O1 Cs1 Cs11 127.0(9) . 1_545 ? 
O2 Cs1 Cs11 132.5(10) . 1_545 ? 
Cs2 Cs1 Cs11 172.85(19) . 1_545 ? 
Cs7 Cs1 Cs11 125.00(18) . 1_545 ? 
Cs8 Cs1 Cs11 117.96(16) . 1_545 ? 
Cs4 Cs1 Cs11 112.98(18) . 1_545 ? 
Cs5 Cs1 Cs11 79.67(15) . 1_545 ? 
Cs6 Cs1 Cs11 87.33(15) . 1_545 ? 
Cs9 Cs1 Cs11 93.05(18) . 1_545 ? 
O3 Cs1 Cs11 4.7(11) . . ? 
O1 Cs1 Cs11 84.5(8) . . ? 
O2 Cs1 Cs11 85.4(10) . . ? 
Cs2 Cs1 Cs11 48.42(13) . . ? 
Cs7 Cs1 Cs11 109.74(17) . . ? 
Cs8 Cs1 Cs11 49.63(14) . . ? 
Cs4 Cs1 Cs11 50.02(14) . . ? 
Cs5 Cs1 Cs11 45.59(15) . . ? 
Cs6 Cs1 Cs11 114.20(16) . . ? 
Cs9 Cs1 Cs11 114.05(17) . . ? 
Cs11 Cs1 Cs11 125.18(19) 1_545 . ? 
O3 Cs2 O1 85.0(11) . . ? 
O3 Cs2 O2 86.6(12) . . ? 
O1 Cs2 O2 84.9(10) . . ? 
O3 Cs2 Cs1 50.9(9) . . ? 
O1 Cs2 Cs1 52.0(7) . . ? 
O2 Cs2 Cs1 52.0(9) . . ? 
O3 Cs2 Cs4 49.6(7) . . ? 
O1 Cs2 Cs4 50.0(7) . . ? 
O2 Cs2 Cs4 113.1(9) . . ? 
Cs1 Cs2 Cs4 61.14(15) . . ? 
O3 Cs2 Cs7 111.5(9) . . ? 
O1 Cs2 Cs7 50.1(6) . . ? 
O2 Cs2 Cs7 47.8(7) . . ? 
Cs1 Cs2 Cs7 60.61(15) . . ? 
Cs4 Cs2 Cs7 98.52(17) . . ? 
O3 Cs2 Cs8 50.3(8) . . ? 
O1 Cs2 Cs8 112.6(7) . . ? 
O2 Cs2 Cs8 51.2(7) . . ? 
Cs1 Cs2 Cs8 60.63(14) . . ? 
Cs4 Cs2 Cs8 98.62(17) . . ? 
Cs7 Cs2 Cs8 97.49(17) . . ? 
O3 Cs2 Cs10 114.5(8) . . ? 
O1 Cs2 Cs10 115.4(6) . . ? 
O2 Cs2 Cs10 40.7(9) . . ? 
Cs1 Cs2 Cs10 92.59(18) . . ? 
Cs4 Cs2 Cs10 153.7(2) . . ? 
Cs7 Cs2 Cs10 65.76(18) . . ? 
Cs8 Cs2 Cs10 64.83(17) . . ? 
O3 Cs2 Cs3 114.9(7) . . ? 
O1 Cs2 Cs3 41.3(7) . . ? 
O2 Cs2 Cs3 113.5(7) . . ? 
Cs1 Cs2 Cs3 93.27(15) . . ? 
Cs4 Cs2 Cs3 65.96(14) . . ? 
Cs7 Cs2 Cs3 66.10(15) . . ? 
Cs8 Cs2 Cs3 153.90(19) . . ? 
Cs10 Cs2 Cs3 120.1(2) . . ? 
O3 Cs2 Cs11 39.9(9) . . ? 
O1 Cs2 Cs11 114.2(7) . . ? 
O2 Cs2 Cs11 114.9(7) . . ? 
Cs1 Cs2 Cs11 90.85(17) . . ? 
Cs4 Cs2 Cs11 65.05(17) . . ? 
Cs7 Cs2 Cs11 151.4(2) . . ? 
Cs8 Cs2 Cs11 64.44(16) . . ? 
Cs10 Cs2 Cs11 118.8(2) . . ? 
Cs3 Cs2 Cs11 120.73(19) . . ? 
O3 Cs2 Cs6 81.2(8) . . ? 
O1 Cs2 Cs6 4.9(7) . . ? 
O2 Cs2 Cs6 81.6(8) . . ? 
Cs1 Cs2 Cs6 47.04(11) . . ? 
Cs4 Cs2 Cs6 49.13(13) . . ? 
Cs7 Cs2 Cs6 49.81(13) . . ? 
Cs8 Cs2 Cs6 107.67(16) . . ? 
Cs10 Cs2 Cs6 114.05(19) . . ? 
Cs3 Cs2 Cs6 46.24(13) . . ? 
Cs11 Cs2 Cs6 112.19(17) . . ? 
O3 Cs2 Cs9 82.2(9) . . ? 
O1 Cs2 Cs9 82.2(7) . . ? 
O2 Cs2 Cs9 5.0(8) . . ? 
Cs1 Cs2 Cs9 47.12(13) . . ? 
Cs4 Cs2 Cs9 108.26(17) . . ? 
Cs7 Cs2 Cs9 48.54(12) . . ? 
Cs8 Cs2 Cs9 49.36(13) . . ? 
Cs10 Cs2 Cs9 45.48(16) . . ? 
Cs3 Cs2 Cs9 113.32(17) . . ? 
Cs11 Cs2 Cs9 112.08(16) . . ? 
Cs6 Cs2 Cs9 78.67(13) . . ? 
O1 Cs3 Cs6 40.2(9) . . ? 
O1 Cs3 Cs2 46.7(9) . . ? 
Cs6 Cs3 Cs2 86.90(14) . . ? 
O1 Cs3 Cs4 42.3(7) . . ? 
Cs6 Cs3 Cs4 61.19(16) . . ? 
Cs2 Cs3 Cs4 52.79(11) . . ? 
O1 Cs3 Cs7 42.4(7) . . ? 
Cs6 Cs3 Cs7 61.80(16) . . ? 
Cs2 Cs3 Cs7 52.81(11) . . ? 
Cs4 Cs3 Cs7 82.67(13) . . ? 
O1 Cs3 Cs10 95.8(7) . 4_566 ? 
Cs6 Cs3 Cs10 68.42(17) . 4_566 ? 
Cs2 Cs3 Cs10 124.51(18) . 4_566 ? 
Cs4 Cs3 Cs10 71.90(15) . 4_566 ? 
Cs7 Cs3 Cs10 130.2(2) . 4_566 ? 
O1 Cs3 Cs6 126.4(9) . 3_556 ? 
Cs6 Cs3 Cs6 87.05(16) . 3_556 ? 
Cs2 Cs3 Cs6 167.7(2) . 3_556 ? 
Cs4 Cs3 Cs6 131.73(17) . 3_556 ? 
Cs7 Cs3 Cs6 114.94(18) . 3_556 ? 
Cs10 Cs3 Cs6 62.51(14) 4_566 3_556 ? 
O1 Cs3 Cs9 130.7(7) . 2 ? 
Cs6 Cs3 Cs9 124.7(2) . 2 ? 
Cs2 Cs3 Cs9 111.83(16) . 2 ? 
Cs4 Cs3 Cs9 164.54(16) . 2 ? 
Cs7 Cs3 Cs9 88.33(16) . 2 ? 
Cs10 Cs3 Cs9 123.22(14) 4_566 2 ? 
Cs6 Cs3 Cs9 63.61(11) 3_556 2 ? 
O1 Cs3 Cs3 158.9(8) . 3_566 ? 
Cs6 Cs3 Cs3 135.4(2) . 3_566 ? 
Cs2 Cs3 Cs3 129.6(2) . 3_566 ? 
Cs4 Cs3 Cs3 116.9(2) . 3_566 ? 
Cs7 Cs3 Cs3 157.8(2) . 3_566 ? 
Cs10 Cs3 Cs3 69.34(16) 4_566 3_566 ? 
Cs6 Cs3 Cs3 61.00(12) 3_556 3_566 ? 
Cs9 Cs3 Cs3 70.21(14) 2 3_566 ? 
O1 Cs3 Cs1 6.8(9) . . ? 
Cs6 Cs3 Cs1 46.99(10) . . ? 
Cs2 Cs3 Cs1 39.92(9) . . ? 
Cs4 Cs3 Cs1 41.64(10) . . ? 
Cs7 Cs3 Cs1 41.29(11) . . ? 
Cs10 Cs3 Cs1 100.61(16) 4_566 . ? 
Cs6 Cs3 Cs1 132.92(17) 3_556 . ? 
Cs9 Cs3 Cs1 129.23(15) 2 . ? 
Cs3 Cs3 Cs1 158.1(2) 3_566 . ? 
O1 Cs3 Cs6 110.2(9) . 1_565 ? 
Cs6 Cs3 Cs6 139.2(2) . 1_565 ? 
Cs2 Cs3 Cs6 71.15(14) . 1_565 ? 
Cs4 Cs3 Cs6 78.30(16) . 1_565 ? 
Cs7 Cs3 Cs6 120.42(16) . 1_565 ? 
Cs10 Cs3 Cs6 95.83(16) 4_566 1_565 ? 
Cs6 Cs3 Cs6 119.81(11) 3_556 1_565 ? 
Cs9 Cs3 Cs6 95.68(15) 2 1_565 ? 
Cs3 Cs3 Cs6 58.81(15) 3_566 1_565 ? 
Cs1 Cs3 Cs6 104.72(13) . 1_565 ? 
O3 Cs4 O1 87.9(10) . . ? 
O3 Cs4 Cs2 51.6(10) . . ? 
O1 Cs4 Cs2 51.7(8) . . ? 
O3 Cs4 Cs1 49.8(9) . . ? 
O1 Cs4 Cs1 50.8(6) . . ? 
Cs2 Cs4 Cs1 57.90(12) . . ? 
O3 Cs4 Cs11 38.2(9) . . ? 
O1 Cs4 Cs11 113.1(7) . . ? 
Cs2 Cs4 Cs11 62.17(16) . . ? 
Cs1 Cs4 Cs11 87.59(15) . . ? 
O3 Cs4 Cs6 111.2(9) . . ? 
O1 Cs4 Cs6 38.0(9) . . ? 
Cs2 Cs4 Cs6 89.28(16) . . ? 
Cs1 Cs4 Cs6 61.68(14) . . ? 
Cs11 Cs4 Cs6 146.86(18) . . ? 
O3 Cs4 Cs3 112.2(10) . . ? 
O1 Cs4 Cs3 38.8(7) . . ? 
Cs2 Cs4 Cs3 61.25(14) . . ? 
Cs1 Cs4 Cs3 88.85(16) . . ? 
Cs11 Cs4 Cs3 114.5(2) . . ? 
Cs6 Cs4 Cs3 56.93(16) . . ? 
O3 Cs4 Cs5 37.7(11) . . ? 
O1 Cs4 Cs5 111.2(6) . . ? 
Cs2 Cs4 Cs5 88.89(14) . . ? 
Cs1 Cs4 Cs5 60.73(15) . . ? 
Cs11 Cs4 Cs5 55.04(17) . . ? 
Cs6 Cs4 Cs5 112.1(2) . . ? 
Cs3 Cs4 Cs5 146.47(17) . . ? 
O3 Cs4 Cs11 96.8(9) . 3_666 ? 
O1 Cs4 Cs11 173.0(9) . 3_666 ? 
Cs2 Cs4 Cs11 135.21(19) . 3_666 ? 
Cs1 Cs4 Cs11 129.53(18) . 3_666 ? 
Cs11 Cs4 Cs11 73.58(19) . 3_666 ? 
Cs6 Cs4 Cs11 134.98(18) . 3_666 ? 
Cs3 Cs4 Cs11 141.61(17) . 3_666 ? 
Cs5 Cs4 Cs11 70.33(15) . 3_666 ? 
O3 Cs4 Cs5 107.6(12) . 3_656 ? 
O1 Cs4 Cs5 110.0(9) . 3_656 ? 
Cs2 Cs4 Cs5 147.01(18) . 3_656 ? 
Cs1 Cs4 Cs5 89.14(16) . 3_656 ? 
Cs11 Cs4 Cs5 120.25(18) . 3_656 ? 
Cs6 Cs4 Cs5 74.33(15) . 3_656 ? 
Cs3 Cs4 Cs5 125.06(17) . 3_656 ? 
Cs5 Cs4 Cs5 71.91(16) . 3_656 ? 
Cs11 Cs4 Cs5 63.65(14) 3_666 3_656 ? 
O3 Cs4 Cs7 73.4(8) . . ? 
O1 Cs4 Cs7 14.5(6) . . ? 
Cs2 Cs4 Cs7 40.78(12) . . ? 
Cs1 Cs4 Cs7 40.39(11) . . ? 
Cs11 Cs4 Cs7 99.91(15) . . ? 
Cs6 Cs4 Cs7 48.87(12) . . ? 
Cs3 Cs4 Cs7 48.75(11) . . ? 
Cs5 Cs4 Cs7 98.95(14) . . ? 
Cs11 Cs4 Cs7 169.25(14) 3_666 . ? 
Cs5 Cs4 Cs7 114.60(16) 3_656 . ? 
O3 Cs4 Cs8 13.8(8) . . ? 
O1 Cs4 Cs8 74.1(6) . . ? 
Cs2 Cs4 Cs8 40.82(10) . . ? 
Cs1 Cs4 Cs8 40.35(11) . . ? 
Cs11 Cs4 Cs8 47.76(13) . . ? 
Cs6 Cs4 Cs8 99.79(14) . . ? 
Cs3 Cs4 Cs8 99.62(13) . . ? 
Cs5 Cs4 Cs8 48.36(12) . . ? 
Cs11 Cs4 Cs8 110.61(14) 3_666 . ? 
Cs5 Cs4 Cs8 113.07(14) 3_656 . ? 
Cs7 Cs4 Cs8 59.57(9) . . ? 
O3 Cs5 Cs11 42.1(9) . . ? 
O3 Cs5 Cs1 44.6(9) . . ? 
Cs11 Cs5 Cs1 86.63(17) . . ? 
O3 Cs5 Cs8 42.9(8) . . ? 
Cs11 Cs5 Cs8 61.51(18) . . ? 
Cs1 Cs5 Cs8 52.62(13) . . ? 
O3 Cs5 Cs4 41.0(8) . . ? 
Cs11 Cs5 Cs4 61.45(16) . . ? 
Cs1 Cs5 Cs4 52.50(12) . . ? 
Cs8 Cs5 Cs4 82.48(14) . . ? 
O3 Cs5 Cs9 116.1(9) . 2_655 ? 
Cs11 Cs5 Cs9 82.71(18) . 2_655 ? 
Cs1 Cs5 Cs9 140.80(19) . 2_655 ? 
Cs8 Cs5 Cs9 89.58(16) . 2_655 ? 
Cs4 Cs5 Cs9 142.7(2) . 2_655 ? 
O3 Cs5 Cs8 117.1(9) . 2_645 ? 
Cs11 Cs5 Cs8 133.8(2) . 2_645 ? 
Cs1 Cs5 Cs8 86.41(16) . 2_645 ? 
Cs8 Cs5 Cs8 78.38(14) . 2_645 ? 
Cs4 Cs5 Cs8 137.8(2) . 2_645 ? 
Cs9 Cs5 Cs8 74.62(13) 2_655 2_645 ? 
O3 Cs5 Cs4 145.3(9) . 3_656 ? 
Cs11 Cs5 Cs4 151.5(2) . 3_656 ? 
Cs1 Cs5 Cs4 108.27(18) . 3_656 ? 
Cs8 Cs5 Cs4 146.5(2) . 3_656 ? 
Cs4 Cs5 Cs4 108.09(16) . 3_656 ? 
Cs9 Cs5 Cs4 98.52(14) 2_655 3_656 ? 
Cs8 Cs5 Cs4 72.73(12) 2_645 3_656 ? 
O3 Cs5 Cs11 92.9(9) . 3_666 ? 
Cs11 Cs5 Cs11 72.1(2) . 3_666 ? 
Cs1 Cs5 Cs11 114.57(15) . 3_666 ? 
Cs8 Cs5 Cs11 131.67(19) . 3_666 ? 
Cs4 Cs5 Cs11 63.18(13) . 3_666 ? 
Cs9 Cs5 Cs11 97.77(16) 2_655 3_666 ? 
Cs8 Cs5 Cs11 149.57(17) 2_645 3_666 ? 
Cs4 Cs5 Cs11 79.55(14) 3_656 3_666 ? 
O3 Cs5 Cs2 5.1(10) . . ? 
Cs11 Cs5 Cs2 47.05(14) . . ? 
Cs1 Cs5 Cs2 39.58(10) . . ? 
Cs8 Cs5 Cs2 41.50(9) . . ? 
Cs4 Cs5 Cs2 41.23(9) . . ? 
Cs9 Cs5 Cs2 119.20(16) 2_655 . ? 
Cs8 Cs5 Cs2 113.36(15) 2_645 . ? 
Cs4 Cs5 Cs2 142.23(15) 3_656 . ? 
Cs11 Cs5 Cs2 96.21(13) 3_666 . ? 
O3 Cs5 Cs11 99.5(10) . 1_545 ? 
Cs11 Cs5 Cs11 141.6(2) . 1_545 ? 
Cs1 Cs5 Cs11 55.07(14) . 1_545 ? 
Cs8 Cs5 Cs11 92.58(18) . 1_545 ? 
Cs4 Cs5 Cs11 89.04(17) . 1_545 ? 
Cs9 Cs5 Cs11 127.85(17) 2_655 1_545 ? 
Cs8 Cs5 Cs11 55.04(13) 2_645 1_545 ? 
Cs4 Cs5 Cs11 57.00(14) 3_656 1_545 ? 
Cs11 Cs5 Cs11 118.04(14) 3_666 1_545 ? 
Cs2 Cs5 Cs11 94.60(14) . 1_545 ? 
O1 Cs6 Cs3 41.3(7) . . ? 
O1 Cs6 Cs1 45.5(7) . . ? 
Cs3 Cs6 Cs1 86.82(15) . . ? 
O1 Cs6 Cs4 42.6(7) . . ? 
Cs3 Cs6 Cs4 61.88(16) . . ? 
Cs1 Cs6 Cs4 53.02(12) . . ? 
O1 Cs6 Cs7 42.1(7) . . ? 
Cs3 Cs6 Cs7 61.67(15) . . ? 
Cs1 Cs6 Cs7 52.30(12) . . ? 
Cs4 Cs6 Cs7 82.94(14) . . ? 
O1 Cs6 Cs10 95.3(7) . 4_566 ? 
Cs3 Cs6 Cs10 66.88(17) . 4_566 ? 
Cs1 Cs6 Cs10 124.4(2) . 4_566 ? 
Cs4 Cs6 Cs10 71.46(15) . 4_566 ? 
Cs7 Cs6 Cs10 128.5(2) . 4_566 ? 
O1 Cs6 Cs3 133.3(8) . 3_556 ? 
Cs3 Cs6 Cs3 92.95(16) . 3_556 ? 
Cs1 Cs6 Cs3 168.7(2) . 3_556 ? 
Cs4 Cs6 Cs3 135.99(17) . 3_556 ? 
Cs7 Cs6 Cs3 118.03(17) . 3_556 ? 
Cs10 Cs6 Cs3 65.31(13) 4_566 3_556 ? 
O1 Cs6 Cs2 5.6(7) . . ? 
Cs3 Cs6 Cs2 46.86(10) . . ? 
Cs1 Cs6 Cs2 39.97(9) . . ? 
Cs4 Cs6 Cs2 41.59(10) . . ? 
Cs7 Cs6 Cs2 41.66(11) . . ? 
Cs10 Cs6 Cs2 98.93(16) 4_566 . ? 
Cs3 Cs6 Cs2 138.69(15) 3_556 . ? 
O1 Cs6 Cs10 92.5(8) . 2_545 ? 
Cs3 Cs6 Cs10 72.76(18) . 2_545 ? 
Cs1 Cs6 Cs10 112.61(17) . 2_545 ? 
Cs4 Cs6 Cs10 132.09(19) . 2_545 ? 
Cs7 Cs6 Cs10 61.68(14) . 2_545 ? 
Cs10 Cs6 Cs10 105.07(13) 4_566 2_545 ? 
Cs3 Cs6 Cs10 56.80(12) 3_556 2_545 ? 
Cs2 Cs6 Cs10 95.56(15) . 2_545 ? 
O1 Cs6 Cs3 143.8(7) . 1_545 ? 
Cs3 Cs6 Cs3 139.2(2) . 1_545 ? 
Cs1 Cs6 Cs3 113.59(16) . 1_545 ? 
Cs4 Cs6 Cs3 158.15(18) . 1_545 ? 
Cs7 Cs6 Cs3 102.17(18) . 1_545 ? 
Cs10 Cs6 Cs3 118.18(14) 4_566 1_545 ? 
Cs3 Cs6 Cs3 60.19(11) 3_556 1_545 ? 
Cs2 Cs6 Cs3 141.59(15) . 1_545 ? 
Cs10 Cs6 Cs3 66.87(14) 2_545 1_545 ? 
O2 Cs7 O1 89.7(9) . . ? 
O2 Cs7 Cs1 51.6(8) . . ? 
O1 Cs7 Cs1 51.1(7) . . ? 
O2 Cs7 Cs2 52.6(9) . . ? 
O1 Cs7 Cs2 51.6(8) . . ? 
Cs1 Cs7 Cs2 58.07(13) . . ? 
O2 Cs7 Cs9 37.8(10) . . ? 
O1 Cs7 Cs9 113.1(7) . . ? 
Cs1 Cs7 Cs9 62.40(15) . . ? 
Cs2 Cs7 Cs9 89.86(16) . . ? 
O2 Cs7 Cs10 37.8(9) . . ? 
O1 Cs7 Cs10 112.1(8) . . ? 
Cs1 Cs7 Cs10 88.50(17) . . ? 
Cs2 Cs7 Cs10 60.98(17) . . ? 
Cs9 Cs7 Cs10 56.59(18) . . ? 
O2 Cs7 Cs3 113.3(9) . . ? 
O1 Cs7 Cs3 38.7(7) . . ? 
Cs1 Cs7 Cs3 89.02(16) . . ? 
Cs2 Cs7 Cs3 61.09(14) . . ? 
Cs9 Cs7 Cs3 147.91(19) . . ? 
Cs10 Cs7 Cs3 112.2(2) . . ? 
O2 Cs7 Cs6 112.7(8) . . ? 
O1 Cs7 Cs6 37.4(9) . . ? 
Cs1 Cs7 Cs6 61.41(14) . . ? 
Cs2 Cs7 Cs6 88.52(16) . . ? 
Cs9 Cs7 Cs6 113.8(2) . . ? 
Cs10 Cs7 Cs6 146.2(2) . . ? 
Cs3 Cs7 Cs6 56.53(15) . . ? 
O2 Cs7 Cs10 170.9(9) . 2_545 ? 
O1 Cs7 Cs10 98.1(7) . 2_545 ? 
Cs1 Cs7 Cs10 131.27(19) . 2_545 ? 
Cs2 Cs7 Cs10 136.47(17) . 2_545 ? 
Cs9 Cs7 Cs10 133.5(2) . 2_545 ? 
Cs10 Cs7 Cs10 140.17(16) . 2_545 ? 
Cs3 Cs7 Cs10 75.86(14) . 2_545 ? 
Cs6 Cs7 Cs10 71.90(14) . 2_545 ? 
O2 Cs7 Cs8 14.9(7) . . ? 
O1 Cs7 Cs8 74.8(7) . . ? 
Cs1 Cs7 Cs8 40.81(11) . . ? 
Cs2 Cs7 Cs8 41.35(10) . . ? 
Cs9 Cs7 Cs8 48.88(13) . . ? 
Cs10 Cs7 Cs8 47.92(14) . . ? 
Cs3 Cs7 Cs8 100.15(15) . . ? 
Cs6 Cs7 Cs8 99.90(15) . . ? 
Cs10 Cs7 Cs8 171.79(17) 2_545 . ? 
O2 Cs7 Cs7 125.1(10) . 2_545 ? 
O1 Cs7 Cs7 129.4(9) . 2_545 ? 
Cs1 Cs7 Cs7 120.53(17) . 2_545 ? 
Cs2 Cs7 Cs7 177.66(19) . 2_545 ? 
Cs9 Cs7 Cs7 87.81(16) . 2_545 ? 
Cs10 Cs7 Cs7 117.6(2) . 2_545 ? 
Cs3 Cs7 Cs7 121.13(17) . 2_545 ? 
Cs6 Cs7 Cs7 92.28(15) . 2_545 ? 
Cs10 Cs7 Cs7 45.84(12) 2_545 2_545 ? 
Cs8 Cs7 Cs7 136.32(15) . 2_545 ? 
O2 Cs7 Cs7 95.5(11) . 2 ? 
O1 Cs7 Cs7 102.9(9) . 2 ? 
Cs1 Cs7 Cs7 131.16(15) . 2 ? 
Cs2 Cs7 Cs7 73.39(10) . 2 ? 
Cs9 Cs7 Cs7 116.18(19) . 2 ? 
Cs10 Cs7 Cs7 61.68(15) . 2 ? 
Cs3 Cs7 Cs7 70.73(13) . 2 ? 
Cs6 Cs7 Cs7 126.33(18) . 2 ? 
Cs10 Cs7 Cs7 87.31(19) 2_545 2 ? 
Cs8 Cs7 Cs7 98.22(12) . 2 ? 
Cs7 Cs7 Cs7 107.81(19) 2_545 2 ? 
O3 Cs8 O2 87.6(10) . . ? 
O3 Cs8 Cs1 49.8(8) . . ? 
O2 Cs8 Cs1 50.8(8) . . ? 
O3 Cs8 Cs2 51.1(10) . . ? 
O2 Cs8 Cs2 51.7(8) . . ? 
Cs1 Cs8 Cs2 57.88(12) . . ? 
O3 Cs8 Cs10 111.9(10) . . ? 
O2 Cs8 Cs10 39.0(9) . . ? 
Cs1 Cs8 Cs10 89.11(18) . . ? 
Cs2 Cs8 Cs10 61.36(15) . . ? 
O3 Cs8 Cs11 38.8(9) . . ? 
O2 Cs8 Cs11 113.3(7) . . ? 
Cs1 Cs8 Cs11 88.21(16) . . ? 
Cs2 Cs8 Cs11 62.30(15) . . ? 
Cs10 Cs8 Cs11 114.2(2) . . ? 
O3 Cs8 Cs9 111.2(8) . . ? 
O2 Cs8 Cs9 37.6(9) . . ? 
Cs1 Cs8 Cs9 61.79(15) . . ? 
Cs2 Cs8 Cs9 88.87(16) . . ? 
Cs10 Cs8 Cs9 56.5(2) . . ? 
Cs11 Cs8 Cs9 147.17(17) . . ? 
O3 Cs8 Cs5 38.7(11) . . ? 
O2 Cs8 Cs5 111.9(7) . . ? 
Cs1 Cs8 Cs5 61.39(15) . . ? 
Cs2 Cs8 Cs5 89.43(14) . . ? 
Cs10 Cs8 Cs5 147.35(16) . . ? 
Cs11 Cs8 Cs5 55.60(18) . . ? 
Cs9 Cs8 Cs5 112.9(2) . . ? 
O3 Cs8 Cs11 133.6(11) . 2_645 ? 
O2 Cs8 Cs11 118.6(8) . 2_645 ? 
Cs1 Cs8 Cs11 117.02(19) . 2_645 ? 
Cs2 Cs8 Cs11 170.2(2) . 2_645 ? 
Cs10 Cs8 Cs11 111.86(18) . 2_645 ? 
Cs11 Cs8 Cs11 127.22(15) . 2_645 ? 
Cs9 Cs8 Cs11 81.39(16) . 2_645 ? 
Cs5 Cs8 Cs11 94.99(17) . 2_645 ? 
O3 Cs8 Cs5 130.3(9) . 2_655 ? 
O2 Cs8 Cs5 126.9(8) . 2_655 ? 
Cs1 Cs8 Cs5 177.2(2) . 2_655 ? 
Cs2 Cs8 Cs5 119.66(19) . 2_655 ? 
Cs10 Cs8 Cs5 88.39(17) . 2_655 ? 
Cs11 Cs8 Cs5 91.66(17) . 2_655 ? 
Cs9 Cs8 Cs5 117.63(17) . 2_655 ? 
Cs5 Cs8 Cs5 120.70(16) . 2_655 ? 
Cs11 Cs8 Cs5 65.17(12) 2_645 2_655 ? 
O3 Cs8 Cs7 73.7(8) . . ? 
O2 Cs8 Cs7 14.0(6) . . ? 
Cs1 Cs8 Cs7 40.70(12) . . ? 
Cs2 Cs8 Cs7 41.17(11) . . ? 
Cs10 Cs8 Cs7 48.64(14) . . ? 
Cs11 Cs8 Cs7 100.70(14) . . ? 
Cs9 Cs8 Cs7 48.07(12) . . ? 
Cs5 Cs8 Cs7 100.05(14) . . ? 
Cs11 Cs8 Cs7 129.22(18) 2_645 . ? 
Cs5 Cs8 Cs7 136.68(16) 2_655 . ? 
O3 Cs8 Cs4 13.6(8) . . ? 
O2 Cs8 Cs4 74.1(6) . . ? 
Cs1 Cs8 Cs4 40.59(11) . . ? 
Cs2 Cs8 Cs4 40.56(10) . . ? 
Cs10 Cs8 Cs4 99.62(14) . . ? 
Cs11 Cs8 Cs4 48.15(13) . . ? 
Cs9 Cs8 Cs4 99.90(14) . . ? 
Cs5 Cs8 Cs4 49.16(11) . . ? 
Cs11 Cs8 Cs4 141.99(17) 2_645 . ? 
Cs5 Cs8 Cs4 138.81(17) 2_655 . ? 
Cs7 Cs8 Cs4 60.09(9) . . ? 
O2 Cs9 Cs10 40.9(9) . . ? 
O2 Cs9 Cs1 45.4(9) . . ? 
Cs10 Cs9 Cs1 86.28(17) . . ? 
O2 Cs9 Cs7 40.9(8) . . ? 
Cs10 Cs9 Cs7 62.14(17) . . ? 
Cs1 Cs9 Cs7 52.77(12) . . ? 
O2 Cs9 Cs8 44.0(8) . . ? 
Cs10 Cs9 Cs8 60.89(19) . . ? 
Cs1 Cs9 Cs8 52.51(12) . . ? 
Cs7 Cs9 Cs8 83.05(15) . . ? 
O2 Cs9 Cs5 135.9(9) . 2_645 ? 
Cs10 Cs9 Cs5 132.5(2) . 2_645 ? 
Cs1 Cs9 Cs5 108.6(2) . 2_645 ? 
Cs7 Cs9 Cs5 159.0(2) . 2_645 ? 
Cs8 Cs9 Cs5 92.32(17) . 2_645 ? 
O2 Cs9 Cs3 101.2(8) . 2_545 ? 
Cs10 Cs9 Cs3 79.3(2) . 2_545 ? 
Cs1 Cs9 Cs3 123.13(16) . 2_545 ? 
Cs7 Cs9 Cs3 72.17(15) . 2_545 ? 
Cs8 Cs9 Cs3 139.7(2) . 2_545 ? 
Cs5 Cs9 Cs3 121.54(15) 2_645 2_545 ? 
O2 Cs9 Cs10 138.2(9) . 1_545 ? 
Cs10 Cs9 Cs10 142.3(3) . 1_545 ? 
Cs1 Cs9 Cs10 108.07(18) . 1_545 ? 
Cs7 Cs9 Cs10 98.52(18) . 1_545 ? 
Cs8 Cs9 Cs10 153.8(2) . 1_545 ? 
Cs5 Cs9 Cs10 76.82(15) 2_645 1_545 ? 
Cs3 Cs9 Cs10 63.58(14) 2_545 1_545 ? 
O2 Cs9 Cs2 5.7(9) . . ? 
Cs10 Cs9 Cs2 46.40(12) . . ? 
Cs1 Cs9 Cs2 39.89(10) . . ? 
Cs7 Cs9 Cs2 41.60(11) . . ? 
Cs8 Cs9 Cs2 41.77(10) . . ? 
Cs5 Cs9 Cs2 132.41(17) 2_645 . ? 
Cs3 Cs9 Cs2 105.48(15) 2_545 . ? 
Cs10 Cs9 Cs2 136.61(15) 1_545 . ? 
O2 Cs10 Cs9 40.5(10) . . ? 
O2 Cs10 Cs2 47.7(10) . . ? 
Cs9 Cs10 Cs2 88.12(18) . . ? 
O2 Cs10 Cs8 45.2(9) . . ? 
Cs9 Cs10 Cs8 62.56(18) . . ? 
Cs2 Cs10 Cs8 53.81(13) . . ? 
O2 Cs10 Cs7 40.4(8) . . ? 
Cs9 Cs10 Cs7 61.27(18) . . ? 
Cs2 Cs10 Cs7 53.26(13) . . ? 
Cs8 Cs10 Cs7 83.44(15) . . ? 
O2 Cs10 Cs7 108.1(8) . 2 ? 
Cs9 Cs10 Cs7 130.9(2) . 2 ? 
Cs2 Cs10 Cs7 76.38(15) . 2 ? 
Cs8 Cs10 Cs7 129.34(18) . 2 ? 
Cs7 Cs10 Cs7 72.48(13) . 2 ? 
O2 Cs10 Cs3 126.3(10) . 4_565 ? 
Cs9 Cs10 Cs3 85.90(19) . 4_565 ? 
Cs2 Cs10 Cs3 173.9(3) . 4_565 ? 
Cs8 Cs10 Cs3 123.7(2) . 4_565 ? 
Cs7 Cs10 Cs3 122.2(2) . 4_565 ? 
Cs7 Cs10 Cs3 106.76(17) 2 4_565 ? 
O2 Cs10 Cs6 148.1(8) . 4_565 ? 
Cs9 Cs10 Cs6 117.06(19) . 4_565 ? 
Cs2 Cs10 Cs6 140.3(3) . 4_565 ? 
Cs8 Cs10 Cs6 109.0(2) . 4_565 ? 
Cs7 Cs10 Cs6 165.5(2) . 4_565 ? 
Cs7 Cs10 Cs6 103.40(16) 2 4_565 ? 
Cs3 Cs10 Cs6 44.70(11) 4_565 4_565 ? 
O2 Cs10 Cs1 7.6(10) . . ? 
Cs9 Cs10 Cs1 47.72(13) . . ? 
Cs2 Cs10 Cs1 40.41(10) . . ? 
Cs8 Cs10 Cs1 41.88(10) . . ? 
Cs7 Cs10 Cs1 41.76(11) . . ? 
Cs7 Cs10 Cs1 105.03(13) 2 . ? 
Cs3 Cs10 Cs1 133.6(2) 4_565 . ? 
Cs6 Cs10 Cs1 149.2(2) 4_565 . ? 
O2 Cs10 Cs9 117.1(10) . 1_565 ? 
Cs9 Cs10 Cs9 142.3(3) . 1_565 ? 
Cs2 Cs10 Cs9 77.08(18) . 1_565 ? 
Cs8 Cs10 Cs9 81.0(2) . 1_565 ? 
Cs7 Cs10 Cs9 126.90(19) . 1_565 ? 
Cs7 Cs10 Cs9 79.30(16) 2 1_565 ? 
Cs3 Cs10 Cs9 108.49(16) 4_565 1_565 ? 
Cs6 Cs10 Cs9 64.23(14) 4_565 1_565 ? 
Cs1 Cs10 Cs9 109.91(17) . 1_565 ? 
O2 Cs10 Cs6 132.0(9) . 2 ? 
Cs9 Cs10 Cs6 118.1(2) . 2 ? 
Cs2 Cs10 Cs6 121.66(19) . 2 ? 
Cs8 Cs10 Cs6 175.41(18) . 2 ? 
Cs7 Cs10 Cs6 93.0(2) . 2 ? 
Cs7 Cs10 Cs6 46.43(11) 2 2 ? 
Cs3 Cs10 Cs6 60.69(12) 4_565 2 ? 
Cs6 Cs10 Cs6 74.93(13) 4_565 2 ? 
Cs1 Cs10 Cs6 134.71(19) . 2 ? 
Cs9 Cs10 Cs6 98.94(17) 1_565 2 ? 
O2 Cs10 Cs4 104.6(8) . 4_565 ? 
Cs9 Cs10 Cs4 73.42(16) . 4_565 ? 
Cs2 Cs10 Cs4 133.3(2) . 4_565 ? 
Cs8 Cs10 Cs4 79.81(16) . 4_565 ? 
Cs7 Cs10 Cs4 134.5(2) . 4_565 ? 
Cs7 Cs10 Cs4 146.57(16) 2 4_565 ? 
Cs3 Cs10 Cs4 45.57(10) 4_565 4_565 ? 
Cs6 Cs10 Cs4 45.05(10) 4_565 4_565 ? 
Cs1 Cs10 Cs4 108.29(16) . 4_565 ? 
Cs9 Cs10 Cs4 91.80(16) 1_565 4_565 ? 
Cs6 Cs10 Cs4 104.77(13) 2 4_565 ? 
O3 Cs11 Cs5 42.7(12) . . ? 
O3 Cs11 Cs2 45.8(12) . . ? 
Cs5 Cs11 Cs2 88.52(18) . . ? 
O3 Cs11 Cs8 43.7(9) . . ? 
Cs5 Cs11 Cs8 62.89(17) . . ? 
Cs2 Cs11 Cs8 53.26(13) . . ? 
O3 Cs11 Cs4 42.3(8) . . ? 
Cs5 Cs11 Cs4 63.51(16) . . ? 
Cs2 Cs11 Cs4 52.77(12) . . ? 
Cs8 Cs11 Cs4 84.09(15) . . ? 
O3 Cs11 Cs1 130.3(12) . 1_565 ? 
Cs5 Cs11 Cs1 172.3(2) . 1_565 ? 
Cs2 Cs11 Cs1 84.52(18) . 1_565 ? 
Cs8 Cs11 Cs1 110.1(2) . 1_565 ? 
Cs4 Cs11 Cs1 114.07(19) . 1_565 ? 
O3 Cs11 Cs8 120.3(9) . 2_655 ? 
Cs5 Cs11 Cs8 97.91(19) . 2_655 ? 
Cs2 Cs11 Cs8 125.6(2) . 2_655 ? 
Cs8 Cs11 Cs8 82.16(15) . 2_655 ? 
Cs4 Cs11 Cs8 160.6(2) . 2_655 ? 
Cs1 Cs11 Cs8 83.59(15) 1_565 2_655 ? 
O3 Cs11 Cs4 125.3(11) . 3_666 ? 
Cs5 Cs11 Cs4 86.3(2) . 3_666 ? 
Cs2 Cs11 Cs4 158.2(2) . 3_666 ? 
Cs8 Cs11 Cs4 139.2(2) . 3_666 ? 
Cs4 Cs11 Cs4 106.42(19) . 3_666 ? 
Cs1 Cs11 Cs4 101.37(16) 1_565 3_666 ? 
Cs8 Cs11 Cs4 76.11(13) 2_655 3_666 ? 
O3 Cs11 Cs1 5.1(12) . . ? 
Cs5 Cs11 Cs1 47.78(13) . . ? 
Cs2 Cs11 Cs1 40.73(10) . . ? 
Cs8 Cs11 Cs1 42.16(10) . . ? 
Cs4 Cs11 Cs1 42.39(10) . . ? 
Cs1 Cs11 Cs1 125.18(19) 1_565 . ? 
Cs8 Cs11 Cs1 121.33(17) 2_655 . ? 
Cs4 Cs11 Cs1 130.26(19) 3_666 . ? 
O3 Cs11 Cs5 120.5(9) . 3_666 ? 
Cs5 Cs11 Cs5 107.9(2) . 3_666 ? 
Cs2 Cs11 Cs5 116.18(18) . 3_666 ? 
Cs8 Cs11 Cs5 164.0(2) . 3_666 ? 
Cs4 Cs11 Cs5 80.01(16) . 3_666 ? 
Cs1 Cs11 Cs5 78.23(14) 1_565 3_666 ? 
Cs8 Cs11 Cs5 112.86(16) 2_655 3_666 ? 
Cs4 Cs11 Cs5 46.49(10) 3_666 3_666 ? 
Cs1 Cs11 Cs5 121.87(16) . 3_666 ? 
O3 Cs11 Cs5 175.3(12) . 1_565 ? 
Cs5 Cs11 Cs5 141.6(2) . 1_565 ? 
Cs2 Cs11 Cs5 129.8(2) . 1_565 ? 
Cs8 Cs11 Cs5 133.6(2) . 1_565 ? 
Cs4 Cs11 Cs5 138.4(2) . 1_565 ? 
Cs1 Cs11 Cs5 45.26(11) 1_565 1_565 ? 
Cs8 Cs11 Cs5 59.79(12) 2_655 1_565 ? 
Cs4 Cs11 Cs5 59.35(12) 3_666 1_565 ? 
Cs1 Cs11 Cs5 170.2(2) . 1_565 ? 
Cs5 Cs11 Cs5 61.96(14) 3_666 1_565 ? 
Cs6 O1 Cs3 98.5(10) . . ? 
Cs6 O1 Cs4 99.3(12) . . ? 
Cs3 O1 Cs4 98.9(11) . . ? 
Cs6 O1 Cs7 100.5(13) . . ? 
Cs3 O1 Cs7 98.9(12) . . ? 
Cs4 O1 Cs7 151.0(12) . . ? 
Cs6 O1 Cs1 94.5(14) . . ? 
Cs3 O1 Cs1 167.0(18) . . ? 
Cs4 O1 Cs1 79.2(9) . . ? 
Cs7 O1 Cs1 78.3(7) . . ? 
Cs6 O1 Cs2 169.5(15) . . ? 
Cs3 O1 Cs2 92.0(14) . . ? 
Cs4 O1 Cs2 78.3(10) . . ? 
Cs7 O1 Cs2 78.3(8) . . ? 
Cs1 O1 Cs2 75.0(7) . . ? 
Cs9 O2 Cs10 98.6(10) . . ? 
Cs9 O2 Cs7 101.3(16) . . ? 
Cs10 O2 Cs7 101.9(14) . . ? 
Cs9 O2 Cs1 95.1(16) . . ? 
Cs10 O2 Cs1 166(2) . . ? 
Cs7 O2 Cs1 80.0(9) . . ? 
Cs9 O2 Cs8 98.4(12) . . ? 
Cs10 O2 Cs8 95.8(13) . . ? 
Cs7 O2 Cs8 151.1(12) . . ? 
Cs1 O2 Cs8 77.3(9) . . ? 
Cs9 O2 Cs2 169.3(17) . . ? 
Cs10 O2 Cs2 91.6(16) . . ? 
Cs7 O2 Cs2 79.6(9) . . ? 
Cs1 O2 Cs2 74.5(7) . . ? 
Cs8 O2 Cs2 77.1(11) . . ? 
Cs11 O3 Cs5 95.2(13) . . ? 
Cs11 O3 Cs1 170(2) . . ? 
Cs5 O3 Cs1 94.5(17) . . ? 
Cs11 O3 Cs4 99.5(14) . . ? 
Cs5 O3 Cs4 101.3(15) . . ? 
Cs1 O3 Cs4 80.4(10) . . ? 
Cs11 O3 Cs8 97.5(13) . . ? 
Cs5 O3 Cs8 98.4(14) . . ? 
Cs1 O3 Cs8 79.2(11) . . ? 
Cs4 O3 Cs8 152.6(16) . . ? 
Cs11 O3 Cs2 94.3(17) . . ? 
Cs5 O3 Cs2 170.4(19) . . ? 
Cs1 O3 Cs2 76.0(10) . . ? 
Cs4 O3 Cs2 78.8(11) . . ? 
Cs8 O3 Cs2 78.6(12) . . ? 
 
_diffrn_measured_fraction_theta_max    0.977 
_diffrn_reflns_theta_full              22.50 
_diffrn_measured_fraction_theta_full   0.977 
_refine_diff_density_max    0.985 
_refine_diff_density_min   -0.841 
_refine_diff_density_rms    0.221 
