data_f-43c _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety [Cd4Mn6Se4(SePh)12(PnPr3)4] _chemical_formula_sum 'C108 H144 Cd4 Mn6 P4 Se16' _chemical_formula_weight 3608.71 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mn' 'Mn' 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Se' 'Se' -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cd' 'Cd' -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting cubic _symmetry_space_group_name_H-M 'F -4 3 c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' 'x, -y, -z' 'z, x, y' 'z, -x, -y' '-z, -x, y' '-z, x, -y' 'y, z, x' '-y, z, -x' 'y, -z, -x' '-y, -z, x' 'y+1/2, x+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-y+1/2, x+1/2, -z+1/2' 'x+1/2, z+1/2, y+1/2' '-x+1/2, z+1/2, -y+1/2' '-x+1/2, -z+1/2, y+1/2' 'x+1/2, -z+1/2, -y+1/2' 'z+1/2, y+1/2, x+1/2' 'z+1/2, -y+1/2, -x+1/2' '-z+1/2, y+1/2, -x+1/2' '-z+1/2, -y+1/2, x+1/2' 'x, y+1/2, z+1/2' '-x, -y+1/2, z+1/2' '-x, y+1/2, -z+1/2' 'x, -y+1/2, -z+1/2' 'z, x+1/2, y+1/2' 'z, -x+1/2, -y+1/2' '-z, -x+1/2, y+1/2' '-z, x+1/2, -y+1/2' 'y, z+1/2, x+1/2' '-y, z+1/2, -x+1/2' 'y, -z+1/2, -x+1/2' '-y, -z+1/2, x+1/2' 'y+1/2, x+1, z+1' '-y+1/2, -x+1, z+1' 'y+1/2, -x+1, -z+1' '-y+1/2, x+1, -z+1' 'x+1/2, z+1, y+1' '-x+1/2, z+1, -y+1' '-x+1/2, -z+1, y+1' 'x+1/2, -z+1, -y+1' 'z+1/2, y+1, x+1' 'z+1/2, -y+1, -x+1' '-z+1/2, y+1, -x+1' '-z+1/2, -y+1, x+1' 'x+1/2, y, z+1/2' '-x+1/2, -y, z+1/2' '-x+1/2, y, -z+1/2' 'x+1/2, -y, -z+1/2' 'z+1/2, x, y+1/2' 'z+1/2, -x, -y+1/2' '-z+1/2, -x, y+1/2' '-z+1/2, x, -y+1/2' 'y+1/2, z, x+1/2' '-y+1/2, z, -x+1/2' 'y+1/2, -z, -x+1/2' '-y+1/2, -z, x+1/2' 'y+1, x+1/2, z+1' '-y+1, -x+1/2, z+1' 'y+1, -x+1/2, -z+1' '-y+1, x+1/2, -z+1' 'x+1, z+1/2, y+1' '-x+1, z+1/2, -y+1' '-x+1, -z+1/2, y+1' 'x+1, -z+1/2, -y+1' 'z+1, y+1/2, x+1' 'z+1, -y+1/2, -x+1' '-z+1, y+1/2, -x+1' '-z+1, -y+1/2, x+1' 'x+1/2, y+1/2, z' '-x+1/2, -y+1/2, z' '-x+1/2, y+1/2, -z' 'x+1/2, -y+1/2, -z' 'z+1/2, x+1/2, y' 'z+1/2, -x+1/2, -y' '-z+1/2, -x+1/2, y' '-z+1/2, x+1/2, -y' 'y+1/2, z+1/2, x' '-y+1/2, z+1/2, -x' 'y+1/2, -z+1/2, -x' '-y+1/2, -z+1/2, x' 'y+1, x+1, z+1/2' '-y+1, -x+1, z+1/2' 'y+1, -x+1, -z+1/2' '-y+1, x+1, -z+1/2' 'x+1, z+1, y+1/2' '-x+1, z+1, -y+1/2' '-x+1, -z+1, y+1/2' 'x+1, -z+1, -y+1/2' 'z+1, y+1, x+1/2' 'z+1, -y+1, -x+1/2' '-z+1, y+1, -x+1/2' '-z+1, -y+1, x+1/2' _cell_length_a 37.295(4) _cell_length_b 37.295(4) _cell_length_c 37.295(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 51876(10) _cell_formula_units_Z 16 _cell_measurement_temperature 190(2) _cell_measurement_reflns_used 60174 _cell_measurement_theta_min 1.89 _cell_measurement_theta_max 25.08 _exptl_crystal_description blocks _exptl_crystal_colour red _exptl_crystal_size_max 0.5 _exptl_crystal_size_mid 0.45 _exptl_crystal_size_min 0.25 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.848 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 27808 _exptl_absorpt_coefficient_mu 5.785 _exptl_absorpt_correction_type integration _exptl_absorpt_correction_T_min 0.1557 _exptl_absorpt_correction_T_max 0.2627 _exptl_absorpt_process_details STOE-XRED32 _exptl_special_details ; ? ; _diffrn_ambient_temperature 190(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 'STOE IPDS 2T' _diffrn_measurement_method 'rotation method' _diffrn_detector_area_resol_mean 6.67 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 33776 _diffrn_reflns_av_R_equivalents 0.0884 _diffrn_reflns_av_sigmaI/netI 0.0364 _diffrn_reflns_limit_h_min -32 _diffrn_reflns_limit_h_max 43 _diffrn_reflns_limit_k_min -43 _diffrn_reflns_limit_k_max 41 _diffrn_reflns_limit_l_min -43 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_theta_min 1.89 _diffrn_reflns_theta_max 24.59 _reflns_number_total 3632 _reflns_number_gt 3173 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'STOE X-AREA' _computing_cell_refinement 'STOE X-AREA' _computing_data_reduction 'STOE X-RED' _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^)+(0.1000P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.039(19) _refine_ls_number_reflns 3632 _refine_ls_number_parameters 209 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0526 _refine_ls_R_factor_gt 0.0442 _refine_ls_wR_factor_ref 0.1347 _refine_ls_wR_factor_gt 0.1280 _refine_ls_goodness_of_fit_ref 0.972 _refine_ls_restrained_S_all 0.976 _refine_ls_shift/su_max 0.001 _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 Cd1 Cd 0.07648(2) 0.42352(2) 0.92352(2) 0.0691(3) Uani 0.90 3 d SP . . CD1A Mn 0.07648(2) 0.42352(2) 0.92352(2) 0.0691(3) Uani 0.10 3 d SP . . Mn1 Mn 0.07277(5) 0.5000 1.0000 0.0685(5) Uani 0.93 2 d SP . . MN1A Cd 0.07277(5) 0.5000 1.0000 0.0685(5) Uani 0.07 2 d SP . . Se1 Se 0.11498(2) 0.44851(2) 0.97741(3) 0.0652(3) Uani 1 1 d . . . Se2 Se 0.04282(3) 0.45718(3) 1.04282(3) 0.0797(5) Uani 1 3 d S . . P1 P 0.11607(8) 0.38393(8) 0.88393(8) 0.0861(13) Uani 1 3 d S . . Cd2 Cd 0.326342(17) 0.326342(17) 0.826342(17) 0.0508(3) Uani 0.90 3 d SP . . CD2A Mn 0.326342(17) 0.326342(17) 0.826342(17) 0.0508(3) Uani 0.10 3 d SP . . Mn2 Mn 0.2500 0.32247(4) 0.7500 0.0453(3) Uani 0.93 2 d SP . . MN2A Cd 0.2500 0.32247(4) 0.7500 0.0453(3) Uani 0.07 2 d SP . . Se3 Se 0.29290(2) 0.29290(2) 0.70710(2) 0.0511(3) Uani 1 3 d S . . Se4 Se 0.27550(2) 0.366173(19) 0.79850(2) 0.0501(2) Uani 1 1 d . . . P2 P 0.36627(5) 0.36627(5) 0.86627(5) 0.0495(7) Uani 1 3 d S . . C1 C 0.1549(2) 0.4716(2) 0.9539(2) 0.0582(18) Uani 1 1 d . . . C2 C 0.1512(3) 0.4988(3) 0.9294(3) 0.086(3) Uani 1 1 d . . . H2 H 0.1279 0.5072 0.9233 0.103 Uiso 1 1 calc R . . C3 C 0.1812(4) 0.5142(3) 0.9136(3) 0.093(3) Uani 1 1 d . . . H3 H 0.1784 0.5321 0.8957 0.111 Uiso 1 1 calc R . . C4 C 0.2136(3) 0.5040(3) 0.9235(3) 0.091(3) Uani 1 1 d . . . H4 H 0.2340 0.5151 0.9131 0.109 Uiso 1 1 calc R . . C5 C 0.2180(3) 0.4785(4) 0.9476(3) 0.118(5) Uani 1 1 d . . . H5 H 0.2415 0.4717 0.9548 0.141 Uiso 1 1 calc R . . C6 C 0.1883(3) 0.4615(3) 0.9626(3) 0.092(3) Uani 1 1 d . . . H6 H 0.1918 0.4425 0.9792 0.110 Uiso 1 1 calc R . . C7 C 0.1610(4) 0.4008(6) 0.8733(5) 0.154(7) Uani 1 1 d D . . H7A H 0.1743 0.4039 0.8961 0.185 Uiso 1 1 calc R . . H7B H 0.1737 0.3822 0.8593 0.185 Uiso 1 1 calc R . . C8 C 0.1628(7) 0.4351(5) 0.8530(6) 0.243(15) Uani 1 1 d D . . H8A H 0.1536 0.4553 0.8676 0.292 Uiso 1 1 calc R . . H8B H 0.1487 0.4336 0.8305 0.292 Uiso 1 1 calc R . . C9 C 0.2049(5) 0.4397(5) 0.8447(5) 0.179(10) Uani 1 1 d D . . H9A H 0.2088 0.4617 0.8308 0.268 Uiso 1 1 calc R . . H9B H 0.2135 0.4190 0.8310 0.268 Uiso 1 1 calc R . . H9C H 0.2182 0.4413 0.8674 0.268 Uiso 1 1 calc R . . C10 C 0.30270(19) 0.4034(2) 0.7758(2) 0.0530(17) Uani 1 1 d . . . C11 C 0.3349(3) 0.3979(2) 0.7597(3) 0.076(3) Uani 1 1 d . . . H11 H 0.3445 0.3743 0.7586 0.092 Uiso 1 1 calc R . . C12 C 0.3541(3) 0.4265(3) 0.7448(3) 0.089(3) Uani 1 1 d . . . H12 H 0.3766 0.4227 0.7335 0.106 Uiso 1 1 calc R . . C13 C 0.3391(4) 0.4610(3) 0.7471(3) 0.099(4) Uani 1 1 d . . . H13 H 0.3515 0.4807 0.7367 0.119 Uiso 1 1 calc R . . C14 C 0.3081(4) 0.4665(3) 0.7634(4) 0.100(4) Uani 1 1 d . . . H14 H 0.2987 0.4901 0.7652 0.120 Uiso 1 1 calc R . . C15 C 0.2893(3) 0.4378(3) 0.7778(3) 0.084(3) Uani 1 1 d . . . H15 H 0.2669 0.4419 0.7893 0.101 Uiso 1 1 calc R . . C16 C 0.3543(3) 0.4137(2) 0.8669(2) 0.066(2) Uani 1 1 d . . . H16A H 0.3721 0.4266 0.8818 0.079 Uiso 1 1 calc R . . H16B H 0.3563 0.4231 0.8422 0.079 Uiso 1 1 calc R . . C17 C 0.3176(2) 0.4224(3) 0.8808(2) 0.071(2) Uani 1 1 d . . . H17A H 0.3155 0.4138 0.9058 0.086 Uiso 1 1 calc R . . H17B H 0.2995 0.4096 0.8662 0.086 Uiso 1 1 calc R . . C18 C 0.3100(3) 0.4620(3) 0.8796(3) 0.101(4) Uani 1 1 d . . . H18A H 0.2856 0.4665 0.8885 0.152 Uiso 1 1 calc R . . H18B H 0.3120 0.4706 0.8549 0.152 Uiso 1 1 calc R . . H18C H 0.3273 0.4747 0.8948 0.152 Uiso 1 1 calc R . . 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 Cd1 0.0691(3) 0.0691(3) 0.0691(3) 0.0028(3) -0.0028(3) -0.0028(3) CD1A 0.0691(3) 0.0691(3) 0.0691(3) 0.0028(3) -0.0028(3) -0.0028(3) Mn1 0.0614(10) 0.0731(11) 0.0710(11) -0.0118(9) 0.000 0.000 MN1A 0.0614(10) 0.0731(11) 0.0710(11) -0.0118(9) 0.000 0.000 Se1 0.0630(5) 0.0671(5) 0.0655(5) 0.0025(4) -0.0032(4) -0.0013(4) Se2 0.0797(5) 0.0797(5) 0.0797(5) -0.0063(6) 0.0063(6) -0.0063(6) P1 0.0861(13) 0.0861(13) 0.0861(13) -0.0056(14) 0.0056(14) 0.0056(14) Cd2 0.0508(3) 0.0508(3) 0.0508(3) 0.0038(3) 0.0038(3) 0.0038(3) CD2A 0.0508(3) 0.0508(3) 0.0508(3) 0.0038(3) 0.0038(3) 0.0038(3) Mn2 0.0456(7) 0.0414(7) 0.0490(8) 0.000 -0.0039(6) 0.000 MN2A 0.0456(7) 0.0414(7) 0.0490(8) 0.000 -0.0039(6) 0.000 Se3 0.0511(3) 0.0511(3) 0.0511(3) -0.0005(3) -0.0005(3) 0.0005(3) Se4 0.0559(4) 0.0444(4) 0.0499(4) -0.0025(3) -0.0055(3) 0.0026(3) P2 0.0495(7) 0.0495(7) 0.0495(7) 0.0019(8) 0.0019(8) 0.0019(8) C1 0.074(5) 0.045(4) 0.055(4) 0.003(3) -0.007(4) -0.001(4) C2 0.064(5) 0.071(6) 0.122(9) 0.028(6) -0.007(5) -0.005(5) C3 0.118(9) 0.071(6) 0.088(7) 0.031(5) -0.010(7) -0.022(6) C4 0.082(7) 0.114(9) 0.077(6) 0.012(6) 0.000(5) -0.028(6) C5 0.073(7) 0.172(13) 0.108(9) 0.077(9) 0.002(6) -0.014(7) C6 0.073(6) 0.110(8) 0.091(7) 0.040(7) -0.015(6) 0.015(6) C7 0.127(12) 0.200(19) 0.136(13) 0.037(13) 0.037(10) -0.033(12) C8 0.40(5) 0.16(2) 0.17(2) -0.058(17) -0.05(3) 0.06(3) C9 0.183(19) 0.188(18) 0.165(17) -0.023(14) 0.085(15) -0.089(16) C10 0.058(4) 0.051(4) 0.050(4) -0.003(3) -0.014(3) -0.006(3) C11 0.095(7) 0.050(4) 0.084(6) 0.018(4) -0.005(5) -0.006(4) C12 0.084(6) 0.090(7) 0.092(7) 0.017(6) 0.007(6) -0.013(6) C13 0.115(10) 0.079(7) 0.103(8) 0.032(7) -0.042(8) -0.043(7) C14 0.130(11) 0.055(6) 0.114(10) 0.012(5) -0.003(8) -0.004(6) C15 0.115(9) 0.060(5) 0.077(6) 0.000(5) -0.017(6) -0.003(5) C16 0.084(6) 0.059(5) 0.054(5) 0.004(4) 0.002(4) -0.001(4) C17 0.077(6) 0.075(6) 0.062(5) -0.004(4) 0.000(4) 0.021(5) C18 0.100(8) 0.088(7) 0.116(9) -0.034(7) -0.024(7) 0.042(6) _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 Cd1 P1 2.557(5) . ? Cd1 Se1 2.6401(11) 82_546 ? Cd1 Se1 2.6402(11) 31_655 ? Cd1 Se1 2.6402(11) . ? Mn1 Se2 2.5196(13) . ? Mn1 Se2 2.5197(13) 4_567 ? Mn1 Se1 2.6223(15) . ? Mn1 Se1 2.6223(15) 4_567 ? Se1 C1 1.929(8) . ? Se2 MN1A 2.5195(13) 30_456 ? Se2 Mn1 2.5195(13) 30_456 ? Se2 MN1A 2.5195(13) 81_446 ? Se2 Mn1 2.5195(13) 81_446 ? P1 C7 1.833(14) 82_546 ? P1 C7 1.833(14) 31_655 ? P1 C7 1.833(15) . ? Cd2 P2 2.579(4) . ? Cd2 Se4 2.6231(9) . ? Cd2 Se4 2.6232(9) 33_545 ? Cd2 Se4 2.6232(9) 53_455 ? Mn2 Se3 2.5171(9) 51_556 ? Mn2 Se3 2.5171(9) . ? Mn2 Se4 2.6139(11) . ? Mn2 Se4 2.6139(11) 51_556 ? Se3 MN2A 2.5170(9) 78_456 ? Se3 Mn2 2.5170(9) 78_456 ? Se3 MN2A 2.5172(9) 33_545 ? Se3 Mn2 2.5172(9) 33_545 ? Se4 C10 1.918(7) . ? P2 C16 1.824(8) . ? P2 C16 1.824(8) 53_455 ? P2 C16 1.824(8) 33_545 ? C1 C6 1.343(13) . ? C1 C2 1.371(13) . ? C2 C3 1.391(16) . ? C3 C4 1.320(17) . ? C4 C5 1.321(15) . ? C5 C6 1.390(16) . ? C7 C8 1.487(17) . ? C8 C9 1.612(18) . ? C10 C11 1.359(13) . ? C10 C15 1.377(13) . ? C11 C12 1.399(14) . ? C12 C13 1.406(17) . ? C13 C14 1.324(17) . ? C14 C15 1.389(16) . ? C16 C17 1.498(12) . ? C17 C18 1.505(14) . ? 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 P1 Cd1 Se1 109.23(4) . 82_546 ? P1 Cd1 Se1 109.23(4) . 31_655 ? Se1 Cd1 Se1 109.72(3) 82_546 31_655 ? P1 Cd1 Se1 109.23(4) . . ? Se1 Cd1 Se1 109.71(3) 82_546 . ? Se1 Cd1 Se1 109.71(3) 31_655 . ? Se2 Mn1 Se2 127.37(12) . 4_567 ? Se2 Mn1 Se1 90.32(4) . . ? Se2 Mn1 Se1 121.78(3) 4_567 . ? Se2 Mn1 Se1 121.78(3) . 4_567 ? Se2 Mn1 Se1 90.32(4) 4_567 4_567 ? Se1 Mn1 Se1 106.20(8) . 4_567 ? C1 Se1 Mn1 106.4(2) . . ? C1 Se1 Cd1 103.3(2) . . ? Mn1 Se1 Cd1 100.17(5) . . ? MN1A Se2 Mn1 0.00(8) 30_456 30_456 ? MN1A Se2 MN1A 99.23(7) 30_456 81_446 ? Mn1 Se2 MN1A 99.23(7) 30_456 81_446 ? MN1A Se2 Mn1 99.23(7) 30_456 81_446 ? Mn1 Se2 Mn1 99.23(7) 30_456 81_446 ? MN1A Se2 Mn1 0.00(8) 81_446 81_446 ? MN1A Se2 Mn1 99.22(7) 30_456 . ? Mn1 Se2 Mn1 99.22(7) 30_456 . ? MN1A Se2 Mn1 99.22(7) 81_446 . ? Mn1 Se2 Mn1 99.22(7) 81_446 . ? C7 P1 C7 100.9(9) 82_546 31_655 ? C7 P1 C7 100.9(9) 82_546 . ? C7 P1 C7 100.9(9) 31_655 . ? C7 P1 Cd1 117.1(7) 82_546 . ? C7 P1 Cd1 117.1(7) 31_655 . ? C7 P1 Cd1 117.0(7) . . ? P2 Cd2 Se4 108.60(3) . . ? P2 Cd2 Se4 108.60(3) . 33_545 ? Se4 Cd2 Se4 110.33(3) . 33_545 ? P2 Cd2 Se4 108.60(3) . 53_455 ? Se4 Cd2 Se4 110.33(3) . 53_455 ? Se4 Cd2 Se4 110.33(3) 33_545 53_455 ? Se3 Mn2 Se3 128.03(8) 51_556 . ? Se3 Mn2 Se4 93.71(3) 51_556 . ? Se3 Mn2 Se4 118.80(3) . . ? Se3 Mn2 Se4 118.81(3) 51_556 51_556 ? Se3 Mn2 Se4 93.70(3) . 51_556 ? Se4 Mn2 Se4 102.85(6) . 51_556 ? MN2A Se3 Mn2 0.0 78_456 78_456 ? MN2A Se3 Mn2 98.80(5) 78_456 . ? Mn2 Se3 Mn2 98.80(5) 78_456 . ? MN2A Se3 MN2A 98.80(5) 78_456 33_545 ? Mn2 Se3 MN2A 98.80(5) 78_456 33_545 ? Mn2 Se3 MN2A 98.80(5) . 33_545 ? MN2A Se3 Mn2 98.80(5) 78_456 33_545 ? Mn2 Se3 Mn2 98.80(5) 78_456 33_545 ? Mn2 Se3 Mn2 98.80(5) . 33_545 ? MN2A Se3 Mn2 0.0 33_545 33_545 ? C10 Se4 Mn2 109.8(2) . . ? C10 Se4 Cd2 101.7(2) . . ? Mn2 Se4 Cd2 100.59(4) . . ? C16 P2 C16 103.2(4) . 53_455 ? C16 P2 C16 103.1(4) . 33_545 ? C16 P2 C16 103.1(4) 53_455 33_545 ? C16 P2 Cd2 115.2(3) . . ? C16 P2 Cd2 115.2(3) 53_455 . ? C16 P2 Cd2 115.2(3) 33_545 . ? C6 C1 C2 117.4(9) . . ? C6 C1 Se1 118.9(7) . . ? C2 C1 Se1 123.7(7) . . ? C1 C2 C3 120.6(10) . . ? C4 C3 C2 119.8(10) . . ? C5 C4 C3 120.9(11) . . ? C4 C5 C6 120.1(12) . . ? C1 C6 C5 121.1(10) . . ? C8 C7 P1 116.4(15) . . ? C7 C8 C9 103.5(16) . . ? C11 C10 C15 119.2(9) . . ? C11 C10 Se4 123.5(6) . . ? C15 C10 Se4 117.2(7) . . ? C10 C11 C12 120.7(9) . . ? C11 C12 C13 118.1(11) . . ? C14 C13 C12 121.2(10) . . ? C13 C14 C15 119.9(11) . . ? C10 C15 C14 120.8(12) . . ? C17 C16 P2 116.0(7) . . ? C16 C17 C18 112.1(9) . . ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 24.59 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 0.612 _refine_diff_density_min -0.420 _refine_diff_density_rms 0.071