data_Sr2SnSe5 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Se5 Sn Sr2' _chemical_formula_weight 688.73 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Se' 'Se' -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sr' 'Sr' -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sn' 'Sn' -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 1 _symmetry_space_group_name_H-M P21212 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x+1/2, y+1/2, -z' 'x+1/2, -y+1/2, -z' _cell_length_a 12.057(2) _cell_length_b 16.583(3) _cell_length_c 8.6390(16) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1727.2(6) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour black _exptl_crystal_size_max 0.05 _exptl_crystal_size_mid 0.035 _exptl_crystal_size_min 0.025 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 5.297 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2368 _exptl_absorpt_coefficient_mu 36.156 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.68 _exptl_absorpt_correction_T_max 1.00 _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 12836 _diffrn_reflns_av_R_equivalents 0.0525 _diffrn_reflns_av_sigmaI/netI 0.0590 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 2.09 _diffrn_reflns_theta_max 28.27 _reflns_number_total 4280 _reflns_number_gt 3504 _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 F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ 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/[\s^2^(Fo^2^)+(0.0306P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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 0.00037(3) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.43(2) _refine_ls_number_reflns 4280 _refine_ls_number_parameters 149 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0571 _refine_ls_R_factor_gt 0.0424 _refine_ls_wR_factor_ref 0.0873 _refine_ls_wR_factor_gt 0.0821 _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_restrained_S_all 1.037 _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 Sr1 Sr 0.61478(12) 0.82125(8) 0.74554(12) 0.0120(3) Uani 1 1 d . . . Sr2 Sr 0.61722(12) 0.82066(8) 0.24155(12) 0.0131(3) Uani 1 1 d . . . Sr3 Sr 0.74571(12) 0.57056(8) 0.75846(13) 0.0134(3) Uani 1 1 d . . . Sr4 Sr 0.24705(12) 0.92913(8) 0.74037(13) 0.0129(3) Uani 1 1 d . . . Sn1 Sn 0.44703(6) 0.60337(5) 0.50000(13) 0.0240(2) Uani 1 1 d . . . Sn2 Sn 0.40725(6) 0.67401(4) 0.01448(10) 0.01248(17) Uani 1 1 d . . . Se1 Se 0.61792(8) 0.67455(6) 0.00552(15) 0.0127(2) Uani 1 1 d . . . Se2 Se 0.62788(8) 0.68136(6) 0.50496(15) 0.0118(2) Uani 1 1 d . . . Se3 Se 0.5000 0.5000 0.7270(2) 0.0171(5) Uani 1 2 d S . . Se4 Se 0.5000 0.5000 0.2796(2) 0.0148(4) Uani 1 2 d S . . Se5 Se 0.75457(8) 0.93024(6) 0.98763(18) 0.0120(2) Uani 1 1 d . . . Se6 Se 0.74236(8) 0.92686(6) 0.48675(18) 0.0117(2) Uani 1 1 d . . . Se7 Se 0.43900(9) 0.89334(7) 0.98853(17) 0.0180(2) Uani 1 1 d . . . Se8 Se 0.44208(9) 0.89143(6) 0.48826(17) 0.0156(2) Uani 1 1 d . . . Se9 Se 0.86905(14) 0.76108(8) 0.72304(15) 0.0168(3) Uani 1 1 d . . . Se10 Se 0.5000 0.0000 0.1567(2) 0.0155(4) Uani 1 2 d S . . Se11 Se 0.36665(14) 0.74819(8) 0.76559(14) 0.0149(3) Uani 1 1 d . . . Se12 Se 0.5000 0.0000 0.65109(19) 0.0145(4) Uani 1 2 d S . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Sr1 0.0104(8) 0.0133(6) 0.0124(5) -0.0002(5) 0.0000(4) -0.0007(7) Sr2 0.0127(9) 0.0145(6) 0.0121(5) -0.0013(5) -0.0001(4) -0.0004(7) Sr3 0.0133(10) 0.0156(7) 0.0113(6) -0.0007(5) -0.0010(4) 0.0012(7) Sr4 0.0120(9) 0.0150(7) 0.0116(6) -0.0007(5) -0.0008(4) -0.0009(7) Sn1 0.0110(3) 0.0358(5) 0.0252(4) -0.0050(6) 0.0028(5) -0.0094(3) Sn2 0.0087(3) 0.0167(4) 0.0120(4) -0.0006(4) -0.0003(4) -0.0026(3) Se1 0.0087(5) 0.0154(5) 0.0140(5) 0.0004(7) -0.0002(6) 0.0006(4) Se2 0.0110(5) 0.0117(5) 0.0127(5) -0.0014(6) -0.0011(6) -0.0005(4) Se3 0.0116(12) 0.0238(11) 0.0158(8) 0.000 0.000 -0.0033(11) Se4 0.0110(11) 0.0192(10) 0.0143(8) 0.000 0.000 -0.0022(10) Se5 0.0116(5) 0.0120(5) 0.0125(5) -0.0005(6) 0.0001(5) 0.0014(4) Se6 0.0090(5) 0.0137(5) 0.0124(5) -0.0014(6) -0.0004(5) -0.0004(4) Se7 0.0130(5) 0.0235(6) 0.0175(5) 0.0010(7) -0.0008(6) 0.0038(5) Se8 0.0129(5) 0.0175(5) 0.0165(5) 0.0020(6) 0.0012(6) 0.0018(4) Se9 0.0143(8) 0.0201(7) 0.0161(6) -0.0035(6) -0.0001(6) 0.0030(6) Se10 0.0124(8) 0.0154(9) 0.0188(8) 0.000 0.000 0.0006(8) Se11 0.0100(7) 0.0165(7) 0.0181(6) 0.0048(5) -0.0009(5) -0.0030(6) Se12 0.0113(8) 0.0156(9) 0.0167(8) 0.000 0.000 0.0016(7) _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 Sr1 Se2 3.1186(17) . ? Sr1 Se7 3.2136(18) . ? Sr1 Se9 3.230(2) . ? Sr1 Se6 3.2298(19) . ? Sr1 Se11 3.232(2) . ? Sr1 Se5 3.2374(18) . ? Sr1 Se8 3.2603(18) . ? Sr1 Se1 3.3112(18) 1_556 ? Sr1 Se12 3.3715(15) 1_565 ? Sr1 Sr2 4.2852(15) 1_556 ? Sr1 Sr2 4.3540(15) . ? Sr1 Sr3 4.448(2) . ? Sr2 Se6 3.1409(18) . ? Sr2 Se1 3.1668(18) . ? Sr2 Se11 3.217(2) 4_566 ? Sr2 Se8 3.2215(18) . ? Sr2 Se2 3.2451(18) . ? Sr2 Se7 3.2935(18) 1_554 ? Sr2 Se5 3.2949(18) 1_554 ? Sr2 Se9 3.299(2) 4_466 ? Sr2 Se10 3.3732(15) 1_565 ? Sr2 Sn2 4.0213(16) . ? Sr2 Sr1 4.2852(15) 1_554 ? Sr3 Se1 3.1469(18) 1_556 ? Sr3 Se6 3.1917(18) 3_646 ? Sr3 Se2 3.1922(18) . ? Sr3 Se3 3.1968(16) . ? Sr3 Se5 3.1979(19) 3_647 ? Sr3 Se8 3.2474(19) 4_566 ? Sr3 Se7 3.2506(19) 4_567 ? Sr3 Se10 3.3624(16) 3_656 ? Sr3 Se9 3.505(2) . ? Sr3 Sr4 4.3095(16) 4_566 ? Sr3 Sr4 4.3296(16) 4_567 ? Sr4 Se2 3.1486(17) 4_466 ? Sr4 Se5 3.1625(18) 2_675 ? Sr4 Se1 3.1935(18) 4_466 ? Sr4 Se4 3.2066(15) 3_556 ? Sr4 Se7 3.2100(19) . ? Sr4 Se6 3.2434(19) 2_675 ? Sr4 Se8 3.2656(18) . ? Sr4 Se11 3.336(2) . ? Sr4 Se12 3.3581(16) 1_565 ? Sr4 Sr3 4.3095(16) 4_466 ? Sr4 Sr3 4.3296(16) 4_467 ? Sr4 Sr2 4.431(2) 4_466 ? Sn1 Se6 2.5207(13) 4_466 ? Sn1 Se2 2.5355(12) . ? Sn1 Se4 2.6406(16) . ? Sn1 Se3 2.6818(17) . ? Sn2 Se11 2.5252(15) 1_554 ? Sn2 Se5 2.5253(12) 4_466 ? Sn2 Se1 2.5411(12) . ? Sn2 Se9 2.5519(16) 4_466 ? Se1 Sr3 3.1469(18) 1_554 ? Se1 Sr4 3.1935(18) 4_566 ? Se1 Sr1 3.3112(18) 1_554 ? Se2 Sr4 3.1486(17) 4_566 ? Se3 Sn1 2.6818(17) 2_665 ? Se3 Sr3 3.1968(16) 2_665 ? Se4 Sn1 2.6406(16) 2_665 ? Se4 Sr4 3.2066(15) 3_546 ? Se4 Sr4 3.2066(15) 4_566 ? Se5 Sn2 2.5253(12) 4_566 ? Se5 Sr4 3.1625(18) 2_675 ? Se5 Sr3 3.1979(19) 3_657 ? Se5 Sr2 3.2949(18) 1_556 ? Se6 Sn1 2.5207(13) 4_566 ? Se6 Sr3 3.1917(18) 3_656 ? Se6 Sr4 3.2434(19) 2_675 ? Se7 Se10 2.4043(17) 1_566 ? Se7 Sr3 3.2506(19) 4_467 ? Se7 Sr2 3.2935(18) 1_556 ? Se8 Se12 2.3891(16) 1_565 ? Se8 Sr3 3.2474(19) 4_466 ? Se9 Sn2 2.5519(16) 4_566 ? Se9 Sr2 3.299(2) 4_566 ? Se10 Se7 2.4043(17) 1_544 ? Se10 Se7 2.4043(17) 2_664 ? Se10 Sr3 3.3624(16) 3_646 ? Se10 Sr3 3.3624(16) 4_456 ? Se10 Sr2 3.3732(15) 1_545 ? Se10 Sr2 3.3732(15) 2_665 ? Se11 Sn2 2.5252(15) 1_556 ? Se11 Sr2 3.217(2) 4_466 ? Se12 Se8 2.3891(16) 1_545 ? Se12 Se8 2.3891(16) 2_665 ? Se12 Sr4 3.3581(16) 2_665 ? Se12 Sr4 3.3581(16) 1_545 ? Se12 Sr1 3.3715(15) 2_665 ? Se12 Sr1 3.3715(15) 1_545 ? 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 Se2 Sr1 Se7 138.19(6) . . ? Se2 Sr1 Se9 71.46(4) . . ? Se7 Sr1 Se9 141.28(5) . . ? Se2 Sr1 Se6 85.29(4) . . ? Se7 Sr1 Se6 124.37(5) . . ? Se9 Sr1 Se6 70.96(4) . . ? Se2 Sr1 Se11 78.68(4) . . ? Se7 Sr1 Se11 59.60(4) . . ? Se9 Sr1 Se11 139.99(6) . . ? Se6 Sr1 Se11 132.93(5) . . ? Se2 Sr1 Se5 145.03(6) . . ? Se7 Sr1 Se5 73.36(4) . . ? Se9 Sr1 Se5 73.57(4) . . ? Se6 Sr1 Se5 84.06(5) . . ? Se11 Sr1 Se5 131.03(5) . . ? Se2 Sr1 Se8 81.00(4) . . ? Se7 Sr1 Se8 83.76(5) . . ? Se9 Sr1 Se8 132.49(5) . . ? Se6 Sr1 Se8 68.82(4) . . ? Se11 Sr1 Se8 65.12(4) . . ? Se5 Sr1 Se8 125.00(5) . . ? Se2 Sr1 Se1 84.55(5) . 1_556 ? Se7 Sr1 Se1 80.66(4) . 1_556 ? Se9 Sr1 Se1 78.64(4) . 1_556 ? Se6 Sr1 Se1 149.60(6) . 1_556 ? Se11 Sr1 Se1 72.47(4) . 1_556 ? Se5 Sr1 Se1 88.05(4) . 1_556 ? Se8 Sr1 Se1 137.05(5) . 1_556 ? Se2 Sr1 Se12 120.89(5) . 1_565 ? Se7 Sr1 Se12 63.92(4) . 1_565 ? Se9 Sr1 Se12 130.29(5) . 1_565 ? Se6 Sr1 Se12 63.34(4) . 1_565 ? Se11 Sr1 Se12 87.86(4) . 1_565 ? Se5 Sr1 Se12 83.06(4) . 1_565 ? Se8 Sr1 Se12 42.19(3) . 1_565 ? Se1 Sr1 Se12 144.56(5) 1_556 1_565 ? Se2 Sr1 Sr2 131.63(5) . 1_556 ? Se7 Sr1 Sr2 49.62(4) . 1_556 ? Se9 Sr1 Sr2 93.04(5) . 1_556 ? Se6 Sr1 Sr2 133.64(6) . 1_556 ? Se11 Sr1 Sr2 87.24(4) . 1_556 ? Se5 Sr1 Sr2 49.59(3) . 1_556 ? Se8 Sr1 Sr2 133.38(6) . 1_556 ? Se1 Sr1 Sr2 47.15(3) 1_556 1_556 ? Se12 Sr1 Sr2 104.29(5) 1_565 1_556 ? Se2 Sr1 Sr2 48.05(3) . . ? Se7 Sr1 Sr2 131.19(6) . . ? Se9 Sr1 Sr2 86.14(4) . . ? Se6 Sr1 Sr2 46.04(3) . . ? Se11 Sr1 Sr2 93.38(5) . . ? Se5 Sr1 Sr2 130.07(6) . . ? Se8 Sr1 Sr2 47.42(3) . . ? Se1 Sr1 Sr2 132.58(5) 1_556 . ? Se12 Sr1 Sr2 76.28(4) 1_565 . ? Sr2 Sr1 Sr2 179.18(7) 1_556 . ? Se2 Sr1 Sr3 45.86(3) . . ? Se7 Sr1 Sr3 124.42(4) . . ? Se9 Sr1 Sr3 51.39(4) . . ? Se6 Sr1 Sr3 110.80(4) . . ? Se11 Sr1 Sr3 88.67(4) . . ? Se5 Sr1 Sr3 108.71(4) . . ? Se8 Sr1 Sr3 125.26(4) . . ? Se1 Sr1 Sr3 44.95(3) 1_556 . ? Se12 Sr1 Sr3 166.75(4) 1_565 . ? Sr2 Sr1 Sr3 88.30(4) 1_556 . ? Sr2 Sr1 Sr3 91.18(4) . . ? Se6 Sr2 Se1 149.54(6) . . ? Se6 Sr2 Se11 76.29(4) . 4_566 ? Se1 Sr2 Se11 73.36(4) . 4_566 ? Se6 Sr2 Se8 70.39(4) . . ? Se1 Sr2 Se8 134.95(5) . . ? Se11 Sr2 Se8 138.99(5) 4_566 . ? Se6 Sr2 Se2 84.67(4) . . ? Se1 Sr2 Se2 84.65(5) . . ? Se11 Sr2 Se2 73.97(4) 4_566 . ? Se8 Sr2 Se2 79.71(4) . . ? Se6 Sr2 Se7 123.77(5) . 1_554 ? Se1 Sr2 Se7 81.63(4) . 1_554 ? Se11 Sr2 Se7 136.63(5) 4_566 1_554 ? Se8 Sr2 Se7 83.00(5) . 1_554 ? Se2 Sr2 Se7 138.74(6) . 1_554 ? Se6 Sr2 Se5 84.17(5) . 1_554 ? Se1 Sr2 Se5 89.54(4) . 1_554 ? Se11 Sr2 Se5 73.33(4) 4_566 1_554 ? Se8 Sr2 Se5 124.68(5) . 1_554 ? Se2 Sr2 Se5 147.09(6) . 1_554 ? Se7 Sr2 Se5 71.59(4) 1_554 1_554 ? Se6 Sr2 Se9 127.12(5) . 4_466 ? Se1 Sr2 Se9 75.39(4) . 4_466 ? Se11 Sr2 Se9 134.72(6) 4_566 4_466 ? Se8 Sr2 Se9 59.59(4) . 4_466 ? Se2 Sr2 Se9 71.24(4) . 4_466 ? Se7 Sr2 Se9 67.68(4) 1_554 4_466 ? Se5 Sr2 Se9 138.09(5) 1_554 4_466 ? Se6 Sr2 Se10 81.57(4) . 1_565 ? Se1 Sr2 Se10 122.40(5) . 1_565 ? Se11 Sr2 Se10 134.45(5) 4_566 1_565 ? Se8 Sr2 Se10 63.13(4) . 1_565 ? Se2 Sr2 Se10 142.80(5) . 1_565 ? Se7 Sr2 Se10 42.26(3) 1_554 1_565 ? Se5 Sr2 Se10 65.15(4) 1_554 1_565 ? Se9 Sr2 Se10 90.14(5) 4_466 1_565 ? Se6 Sr2 Sn2 166.05(5) . . ? Se1 Sr2 Sn2 39.18(3) . . ? Se11 Sr2 Sn2 111.37(4) 4_566 . ? Se8 Sr2 Sn2 97.49(4) . . ? Se2 Sr2 Sn2 86.36(4) . . ? Se7 Sr2 Sn2 59.12(3) 1_554 . ? Se5 Sr2 Sn2 108.97(4) 1_554 . ? Se9 Sr2 Sn2 39.27(3) 4_466 . ? Se10 Sr2 Sn2 99.41(4) 1_565 . ? Se6 Sr2 Sr1 132.56(6) . 1_554 ? Se1 Sr2 Sr1 50.05(3) . 1_554 ? Se11 Sr2 Sr1 89.32(4) 4_566 1_554 ? Se8 Sr2 Sr1 131.01(6) . 1_554 ? Se2 Sr2 Sr1 134.68(5) . 1_554 ? Se7 Sr2 Sr1 48.01(3) 1_554 1_554 ? Se5 Sr2 Sr1 48.43(3) 1_554 1_554 ? Se9 Sr2 Sr1 95.02(5) 4_466 1_554 ? Se10 Sr2 Sr1 77.16(4) 1_565 1_554 ? Sn2 Sr2 Sr1 60.61(3) . 1_554 ? Se6 Sr2 Sr1 47.75(3) . . ? Se1 Sr2 Sr1 130.21(5) . . ? Se11 Sr2 Sr1 91.51(4) 4_566 . ? Se8 Sr2 Sr1 48.18(3) . . ? Se2 Sr2 Sr1 45.63(3) . . ? Se7 Sr2 Sr1 131.18(6) 1_554 . ? Se5 Sr2 Sr1 131.91(6) 1_554 . ? Se9 Sr2 Sr1 84.38(4) 4_466 . ? Se10 Sr2 Sr1 102.27(5) 1_565 . ? Sn2 Sr2 Sr1 119.01(5) . . ? Sr1 Sr2 Sr1 179.18(7) 1_554 . ? Se1 Sr3 Se6 151.80(6) 1_556 3_646 ? Se1 Sr3 Se2 86.10(5) 1_556 . ? Se6 Sr3 Se2 89.68(4) 3_646 . ? Se1 Sr3 Se3 78.73(4) 1_556 . ? Se6 Sr3 Se3 73.26(4) 3_646 . ? Se2 Sr3 Se3 74.93(4) . . ? Se1 Sr3 Se5 86.16(4) 1_556 3_647 ? Se6 Sr3 Se5 84.95(5) 3_646 3_647 ? Se2 Sr3 Se5 152.74(6) . 3_647 ? Se3 Sr3 Se5 77.93(4) . 3_647 ? Se1 Sr3 Se8 134.09(5) 1_556 4_566 ? Se6 Sr3 Se8 71.12(4) 3_646 4_566 ? Se2 Sr3 Se8 76.26(4) . 4_566 ? Se3 Sr3 Se8 133.70(5) . 4_566 ? Se5 Sr3 Se8 126.31(5) 3_647 4_566 ? Se1 Sr3 Se7 78.11(4) 1_556 4_567 ? Se6 Sr3 Se7 123.47(5) 3_646 4_567 ? Se2 Sr3 Se7 132.40(5) . 4_567 ? Se3 Sr3 Se7 142.08(6) . 4_567 ? Se5 Sr3 Se7 70.95(4) 3_647 4_567 ? Se8 Sr3 Se7 83.28(5) 4_566 4_567 ? Se1 Sr3 Se10 119.30(5) 1_556 3_656 ? Se6 Sr3 Se10 81.01(4) 3_646 3_656 ? Se2 Sr3 Se10 139.08(5) . 3_656 ? Se3 Sr3 Se10 137.40(5) . 3_656 ? Se5 Sr3 Se10 66.31(4) 3_647 3_656 ? Se8 Sr3 Se10 62.99(4) 4_566 3_656 ? Se7 Sr3 Se10 42.60(4) 4_567 3_656 ? Se1 Sr3 Se9 76.88(4) 1_556 . ? Se6 Sr3 Se9 126.58(5) 3_646 . ? Se2 Sr3 Se9 67.05(4) . . ? Se3 Sr3 Se9 135.70(5) . . ? Se5 Sr3 Se9 135.74(5) 3_647 . ? Se8 Sr3 Se9 57.21(4) 4_566 . ? Se7 Sr3 Se9 65.71(4) 4_567 . ? Se10 Sr3 Se9 86.90(4) 3_656 . ? Se1 Sr3 Sr4 132.80(5) 1_556 4_566 ? Se6 Sr3 Sr4 48.47(3) 3_646 4_566 ? Se2 Sr3 Sr4 46.76(3) . 4_566 ? Se3 Sr3 Sr4 85.35(5) . 4_566 ? Se5 Sr3 Sr4 133.38(5) 3_647 4_566 ? Se8 Sr3 Sr4 48.75(3) 4_566 4_566 ? Se7 Sr3 Sr4 132.03(6) 4_567 4_566 ? Se10 Sr3 Sr4 102.41(5) 3_656 4_566 ? Se9 Sr3 Sr4 84.84(4) . 4_566 ? Se1 Sr3 Sr4 47.39(3) 1_556 4_567 ? Se6 Sr3 Sr4 131.64(5) 3_646 4_567 ? Se2 Sr3 Sr4 133.40(5) . 4_567 ? Se3 Sr3 Sr4 95.10(5) . 4_567 ? Se5 Sr3 Sr4 46.76(3) 3_647 4_567 ? Se8 Sr3 Sr4 130.80(6) 4_566 4_567 ? Se7 Sr3 Sr4 47.52(3) 4_567 4_567 ? Se10 Sr3 Sr4 77.24(4) 3_656 4_567 ? Se9 Sr3 Sr4 94.86(4) . 4_567 ? Sr4 Sr3 Sr4 179.55(7) 4_566 4_567 ? Se1 Sr3 Sr1 48.02(3) 1_556 . ? Se6 Sr3 Sr1 134.19(4) 3_646 . ? Se2 Sr3 Sr1 44.51(3) . . ? Se3 Sr3 Sr1 90.64(4) . . ? Se5 Sr3 Sr1 134.18(4) 3_647 . ? Se8 Sr3 Sr1 93.49(4) 4_566 . ? Se7 Sr3 Sr1 95.69(4) 4_567 . ? Se10 Sr3 Sr1 130.87(4) 3_656 . ? Se9 Sr3 Sr1 46.05(4) . . ? Sr4 Sr3 Sr1 88.57(4) 4_566 . ? Sr4 Sr3 Sr1 91.45(4) 4_567 . ? Se2 Sr4 Se5 151.76(6) 4_466 2_675 ? Se2 Sr4 Se1 85.81(5) 4_466 4_466 ? Se5 Sr4 Se1 85.97(4) 2_675 4_466 ? Se2 Sr4 Se4 75.71(4) 4_466 3_556 ? Se5 Sr4 Se4 76.13(4) 2_675 3_556 ? Se1 Sr4 Se4 77.37(4) 4_466 3_556 ? Se2 Sr4 Se7 132.14(5) 4_466 . ? Se5 Sr4 Se7 71.92(4) 2_675 . ? Se1 Sr4 Se7 78.04(4) 4_466 . ? Se4 Sr4 Se7 140.65(6) 3_556 . ? Se2 Sr4 Se6 89.52(4) 4_466 2_675 ? Se5 Sr4 Se6 85.04(5) 2_675 2_675 ? Se1 Sr4 Se6 151.64(6) 4_466 2_675 ? Se4 Sr4 Se6 74.36(4) 3_556 2_675 ? Se7 Sr4 Se6 123.98(5) . 2_675 ? Se2 Sr4 Se8 76.60(4) 4_466 . ? Se5 Sr4 Se8 126.59(5) 2_675 . ? Se1 Sr4 Se8 134.94(5) 4_466 . ? Se4 Sr4 Se8 134.68(5) 3_556 . ? Se7 Sr4 Se8 83.73(5) . . ? Se6 Sr4 Se8 70.25(4) 2_675 . ? Se2 Sr4 Se11 73.61(4) 4_466 . ? Se5 Sr4 Se11 128.45(5) 2_675 . ? Se1 Sr4 Se11 71.44(4) 4_466 . ? Se4 Sr4 Se11 137.28(5) 3_556 . ? Se7 Sr4 Se11 58.56(4) . . ? Se6 Sr4 Se11 133.57(5) 2_675 . ? Se8 Sr4 Se11 63.90(4) . . ? Se2 Sr4 Se12 117.61(5) 4_466 1_565 ? Se5 Sr4 Se12 84.42(4) 2_675 1_565 ? Se1 Sr4 Se12 142.09(5) 4_466 1_565 ? Se4 Sr4 Se12 134.67(5) 3_556 1_565 ? Se7 Sr4 Se12 64.11(4) . 1_565 ? Se6 Sr4 Se12 63.35(4) 2_675 1_565 ? Se8 Sr4 Se12 42.26(3) . 1_565 ? Se11 Sr4 Se12 86.40(4) . 1_565 ? Se2 Sr4 Sr3 47.61(3) 4_466 4_466 ? Se5 Sr4 Sr3 132.42(5) 2_675 4_466 ? Se1 Sr4 Sr3 133.33(5) 4_466 4_466 ? Se4 Sr4 Sr3 86.70(5) 3_556 4_466 ? Se7 Sr4 Sr3 132.13(6) . 4_466 ? Se6 Sr4 Sr3 47.45(3) 2_675 4_466 ? Se8 Sr4 Sr3 48.39(3) . 4_466 ? Se11 Sr4 Sr3 93.90(4) . 4_466 ? Se12 Sr4 Sr3 76.90(4) 1_565 4_466 ? Se2 Sr4 Sr3 132.23(5) 4_466 4_467 ? Se5 Sr4 Sr3 47.44(3) 2_675 4_467 ? Se1 Sr4 Sr3 46.48(3) 4_466 4_467 ? Se4 Sr4 Sr3 92.86(5) 3_556 4_467 ? Se7 Sr4 Sr3 48.32(4) . 4_467 ? Se6 Sr4 Sr3 132.44(5) 2_675 4_467 ? Se8 Sr4 Sr3 132.05(6) . 4_467 ? Se11 Sr4 Sr3 86.41(4) . 4_467 ? Se12 Sr4 Sr3 103.45(5) 1_565 4_467 ? Sr3 Sr4 Sr3 179.55(7) 4_466 4_467 ? Se2 Sr4 Sr2 47.04(3) 4_466 4_466 ? Se5 Sr4 Sr2 131.56(4) 2_675 4_466 ? Se1 Sr4 Sr2 45.59(3) 4_466 4_466 ? Se4 Sr4 Sr2 90.94(4) 3_556 4_466 ? Se7 Sr4 Sr2 93.34(4) . 4_466 ? Se6 Sr4 Sr2 136.55(4) 2_675 4_466 ? Se8 Sr4 Sr2 95.68(4) . 4_466 ? Se11 Sr4 Sr2 46.34(4) . 4_466 ? Se12 Sr4 Sr2 131.00(4) 1_565 4_466 ? Sr3 Sr4 Sr2 92.01(4) 4_466 4_466 ? Sr3 Sr4 Sr2 87.97(4) 4_467 4_466 ? Se6 Sn1 Se2 160.49(5) 4_466 . ? Se6 Sn1 Se4 98.07(4) 4_466 . ? Se2 Sn1 Se4 97.78(4) . . ? Se6 Sn1 Se3 94.17(4) 4_466 . ? Se2 Sn1 Se3 96.25(4) . . ? Se4 Sn1 Se3 93.14(4) . . ? Se11 Sn2 Se5 100.72(6) 1_554 4_466 ? Se11 Sn2 Se1 99.56(5) 1_554 . ? Se5 Sn2 Se1 136.95(5) 4_466 . ? Se11 Sn2 Se9 121.07(5) 1_554 4_466 ? Se5 Sn2 Se9 99.42(6) 4_466 4_466 ? Se1 Sn2 Se9 101.89(6) . 4_466 ? Se11 Sn2 Sr2 104.05(4) 1_554 . ? Se5 Sn2 Sr2 151.21(5) 4_466 . ? Se1 Sn2 Sr2 51.94(4) . . ? Se9 Sn2 Sr2 54.91(4) 4_466 . ? Sn2 Se1 Sr3 120.54(5) . 1_554 ? Sn2 Se1 Sr2 88.88(5) . . ? Sr3 Se1 Sr2 149.01(5) 1_554 . ? Sn2 Se1 Sr4 117.67(5) . 4_566 ? Sr3 Se1 Sr4 86.13(4) 1_554 4_566 ? Sr2 Se1 Sr4 88.32(5) . 4_566 ? Sn2 Se1 Sr1 90.68(4) . 1_554 ? Sr3 Se1 Sr1 87.03(5) 1_554 1_554 ? Sr2 Se1 Sr1 82.80(4) . 1_554 ? Sr4 Se1 Sr1 150.15(5) 4_566 1_554 ? Sn1 Se2 Sr1 110.31(5) . . ? Sn1 Se2 Sr4 94.83(5) . 4_566 ? Sr1 Se2 Sr4 154.77(5) . 4_566 ? Sn1 Se2 Sr3 95.78(5) . . ? Sr1 Se2 Sr3 89.62(5) . . ? Sr4 Se2 Sr3 85.63(4) 4_566 . ? Sn1 Se2 Sr2 108.49(5) . . ? Sr1 Se2 Sr2 86.32(4) . . ? Sr4 Se2 Sr2 87.72(5) 4_566 . ? Sr3 Se2 Sr2 155.29(5) . . ? Sn1 Se3 Sn1 86.01(7) 2_665 . ? Sn1 Se3 Sr3 94.33(4) 2_665 . ? Sn1 Se3 Sr3 92.80(4) . . ? Sn1 Se3 Sr3 92.80(4) 2_665 2_665 ? Sn1 Se3 Sr3 94.33(4) . 2_665 ? Sr3 Se3 Sr3 170.25(8) . 2_665 ? Sn1 Se4 Sn1 87.70(7) . 2_665 ? Sn1 Se4 Sr4 92.98(4) . 3_546 ? Sn1 Se4 Sr4 91.46(3) 2_665 3_546 ? Sn1 Se4 Sr4 91.46(3) . 4_566 ? Sn1 Se4 Sr4 92.98(4) 2_665 4_566 ? Sr4 Se4 Sr4 173.84(8) 3_546 4_566 ? Sn2 Se5 Sr4 120.29(5) 4_566 2_675 ? Sn2 Se5 Sr3 120.26(5) 4_566 3_657 ? Sr4 Se5 Sr3 85.80(4) 2_675 3_657 ? Sn2 Se5 Sr1 89.58(5) 4_566 . ? Sr4 Se5 Sr1 88.40(5) 2_675 . ? Sr3 Se5 Sr1 148.08(5) 3_657 . ? Sn2 Se5 Sr2 89.64(5) 4_566 1_556 ? Sr4 Se5 Sr2 148.57(5) 2_675 1_556 ? Sr3 Se5 Sr2 86.79(5) 3_657 1_556 ? Sr1 Se5 Sr2 81.99(3) . 1_556 ? Sn1 Se6 Sr2 112.92(6) 4_566 . ? Sn1 Se6 Sr3 97.73(5) 4_566 3_656 ? Sr2 Se6 Sr3 89.58(5) . 3_656 ? Sn1 Se6 Sr1 109.08(6) 4_566 . ? Sr2 Se6 Sr1 86.22(4) . . ? Sr3 Se6 Sr1 152.34(5) 3_656 . ? Sn1 Se6 Sr4 94.43(5) 4_566 2_675 ? Sr2 Se6 Sr4 152.54(5) . 2_675 ? Sr3 Se6 Sr4 84.08(4) 3_656 2_675 ? Sr1 Se6 Sr4 87.16(5) . 2_675 ? Se10 Se7 Sr4 119.22(5) 1_566 . ? Se10 Se7 Sr1 117.82(5) 1_566 . ? Sr4 Se7 Sr1 96.20(5) . . ? Se10 Se7 Sr3 71.18(5) 1_566 4_467 ? Sr4 Se7 Sr3 84.16(4) . 4_467 ? Sr1 Se7 Sr3 168.68(5) . 4_467 ? Se10 Se7 Sr2 70.64(5) 1_566 1_556 ? Sr4 Se7 Sr2 168.89(5) . 1_556 ? Sr1 Se7 Sr2 82.37(4) . 1_556 ? Sr3 Se7 Sr2 95.10(5) 4_467 1_556 ? Se12 Se8 Sr2 118.20(5) 1_565 . ? Se12 Se8 Sr3 116.96(5) 1_565 4_466 ? Sr2 Se8 Sr3 96.56(5) . 4_466 ? Se12 Se8 Sr1 71.39(5) 1_565 . ? Sr2 Se8 Sr1 84.40(4) . . ? Sr3 Se8 Sr1 169.21(5) 4_466 . ? Se12 Se8 Sr4 70.94(5) 1_565 . ? Sr2 Se8 Sr4 169.41(5) . . ? Sr3 Se8 Sr4 82.85(4) 4_466 . ? Sr1 Se8 Sr4 94.22(5) . . ? Sn2 Se9 Sr1 89.29(5) 4_566 . ? Sn2 Se9 Sr2 85.83(5) 4_566 4_566 ? Sr1 Se9 Sr2 169.18(6) . 4_566 ? Sn2 Se9 Sr3 112.28(5) 4_566 . ? Sr1 Se9 Sr3 82.56(5) . . ? Sr2 Se9 Sr3 90.36(5) 4_566 . ? Se7 Se10 Se7 105.64(10) 1_544 2_664 ? Se7 Se10 Sr3 131.81(4) 1_544 3_646 ? Se7 Se10 Sr3 66.22(4) 2_664 3_646 ? Se7 Se10 Sr3 66.22(4) 1_544 4_456 ? Se7 Se10 Sr3 131.81(4) 2_664 4_456 ? Sr3 Se10 Sr3 154.82(7) 3_646 4_456 ? Se7 Se10 Sr2 67.10(4) 1_544 1_545 ? Se7 Se10 Sr2 130.67(4) 2_664 1_545 ? Sr3 Se10 Sr2 82.96(4) 3_646 1_545 ? Sr3 Se10 Sr2 91.60(4) 4_456 1_545 ? Se7 Se10 Sr2 130.67(4) 1_544 2_665 ? Se7 Se10 Sr2 67.10(4) 2_664 2_665 ? Sr3 Se10 Sr2 91.60(4) 3_646 2_665 ? Sr3 Se10 Sr2 82.96(4) 4_456 2_665 ? Sr2 Se10 Sr2 154.90(7) 1_545 2_665 ? Sn2 Se11 Sr2 91.41(5) 1_556 4_466 ? Sn2 Se11 Sr1 92.80(5) 1_556 . ? Sr2 Se11 Sr1 175.64(5) 4_466 . ? Sn2 Se11 Sr4 125.28(5) 1_556 . ? Sr2 Se11 Sr4 85.06(5) 4_466 . ? Sr1 Se11 Sr4 93.41(5) . . ? Se8 Se12 Se8 107.86(9) 1_545 2_665 ? Se8 Se12 Sr4 131.64(4) 1_545 2_665 ? Se8 Se12 Sr4 66.80(4) 2_665 2_665 ? Se8 Se12 Sr4 66.80(4) 1_545 1_545 ? Se8 Se12 Sr4 131.64(4) 2_665 1_545 ? Sr4 Se12 Sr4 153.44(7) 2_665 1_545 ? Se8 Se12 Sr1 133.24(4) 1_545 2_665 ? Se8 Se12 Sr1 66.42(4) 2_665 2_665 ? Sr4 Se12 Sr1 90.55(4) 2_665 2_665 ? Sr4 Se12 Sr1 83.07(4) 1_545 2_665 ? Se8 Se12 Sr1 66.42(4) 1_545 1_545 ? Se8 Se12 Sr1 133.24(4) 2_665 1_545 ? Sr4 Se12 Sr1 83.07(4) 2_665 1_545 ? Sr4 Se12 Sr1 90.55(4) 1_545 1_545 ? Sr1 Se12 Sr1 151.99(7) 2_665 1_545 ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 28.27 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 4.498 _refine_diff_density_min -1.938 _refine_diff_density_rms 0.316