data_8000001 _publ_section_title ; The First S-Bridged CoIIICdIICoIII and CoIIICdII2CoIII Structures Controlled by Chirality of Mono(thiolato)-Type Cobalt(III) Units ; _chemical_formula_sum 'C12 H46 Cd2 Cl8 Co2 N10 O3 S2' loop_ _publ_author_name 'Takashi Aridomi' 'Tatsuya Kawamoto' 'Asako Igashira-Kamiyama' 'Takumi Konno' _journal_name_full 'Chemistry Letters' _journal_year 2005 _journal_volume 34 _journal_page_first 292 _cell_measurement_temperature 296(2) _diffrn_ambient_temperature 296(2) _cell_length_a 14.1950(16) _cell_length_b 14.1950(16) _cell_length_c 31.337(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 5468.38 _symmetry_space_group_name_H-M 'P 32 2 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z+2/3' '-x+y, -x, z+1/3' 'y, x, -z' 'x-y, -y, -z+1/3' '-x, -x+y, -z+2/3' loop_ _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Cd1 1 0.69208(3) 0.19016(3) 0.364756(12) 1 0.03670(9) Uani d . . . Cd2 1 0.60483(4) 0.30092(4) 0.456336(12) 1 0.04071(10) Uani d . . . Co1 1 0.94500(6) 0.27422(6) 0.45739(2) 1 0.03802(17) Uani d . . . Co2 1 0.43084(5) 0.11697(6) 0.28132(2) 1 0.03024(14) Uani d . C . Cl1 1 0.75574(12) 0.04443(11) 0.36440(4) 1 0.0390(3) Uani d . . . Cl2 1 0.82704(14) 0.30698(14) 0.30657(5) 1 0.0509(4) Uani d . . . Cl3 1 0.54856(15) 0.09477(11) 0.43509(5) 1 0.0481(3) Uani d . . . Cl4 1 0.62707(12) 0.34102(12) 0.37365(4) 1 0.0394(3) Uani d . . . Cl5 1 0.40482(17) 0.23855(19) 0.45901(7) 1 0.0709(6) Uani d . . . Cl6 1 0.69290(15) 0.50911(12) 0.46422(5) 1 0.0482(3) Uani d . . . Cl7 1 0.65562(13) 0.27922(12) 0.53126(4) 1 0.0440(3) Uani d . . . S1 1 0.81561(11) 0.30572(12) 0.42989(4) 1 0.0366(3) Uani d . . . S2 1 0.52610(12) 0.05750(11) 0.31915(4) 1 0.0356(3) Uani d . . . N1 1 1.0465(4) 0.4323(4) 0.45314(16) 1 0.0489(13) Uani d . . . H5 1 1.0855 0.4551 0.4774 1 0.059 Uiso calc R . . H6 1 1.0932 0.4446 0.4316 1 0.059 Uiso calc R . . N2 1 0.9828(4) 0.2496(4) 0.40022(15) 1 0.0415(11) Uani d . . . H7 1 0.9217 0.2033 0.3861 1 0.050 Uiso calc R . . H8 1 1.0154 0.3130 0.3858 1 0.050 Uiso calc R . . N3 1 1.0643(5) 0.2490(5) 0.47594(19) 1 0.0563(14) Uani d . . . H13 1 1.1060 0.2991 0.4955 1 0.068 Uiso calc R . . H14 1 1.0363 0.1827 0.4879 1 0.068 Uiso calc R . . N4 1 0.8388(4) 0.1187(5) 0.46593(16) 1 0.0481(13) Uani d . . . H15 1 0.7948 0.0926 0.4430 1 0.058 Uiso calc R . . H16 1 0.8740 0.0811 0.4688 1 0.058 Uiso calc R . . N5 1 0.9048(5) 0.2929(5) 0.51642(15) 1 0.0525(13) Uani d . . . H21 1 0.9647 0.3397 0.5310 1 0.063 Uiso calc R . . H22 1 0.8594 0.3199 0.5155 1 0.063 Uiso calc R . . N6 1 0.4789(4) 0.0738(4) 0.22984(13) 1 0.0350(9) Uani d . . . H27 1 0.4277 0.0057 0.2226 1 0.042 Uiso calc R . . H28 1 0.4846 0.1181 0.2083 1 0.042 Uiso calc R . . N7 1 0.5516(4) 0.2665(3) 0.27673(13) 1 0.0306(8) Uani d . . . H29 1 0.5851 0.2886 0.3021 1 0.037 Uiso calc R . . H30 1 0.6004 0.2695 0.2576 1 0.037 Uiso calc R . . N8 1 0.3512(4) 0.1695(4) 0.24513(16) 1 0.0408(10) Uani d . . . H35 1 0.3200 0.1240 0.2230 1 0.049 Uiso calc R . . H36 1 0.2984 0.1709 0.2605 1 0.049 Uiso calc R . . N9 1 0.3821(4) 0.1533(4) 0.33498(15) 1 0.0410(10) Uani d . . . H37 1 0.4308 0.1668 0.3559 0.60 0.049 Uiso calc PR A 1 H38 1 0.3766 0.2132 0.3312 0.60 0.049 Uiso calc PR A 1 H37B 1 0.4396 0.1884 0.3525 0.40 0.049 Uiso calc PR A 2 H38B 1 0.3572 0.1989 0.3290 0.40 0.049 Uiso calc PR A 2 N10 1 0.2996(5) -0.0289(4) 0.28816(19) 1 0.0546(14) Uani d . . . H43 1 0.2450 -0.0339 0.2719 0.60 0.065 Uiso calc PR B 1 H44 1 0.3143 -0.0810 0.2799 0.60 0.065 Uiso calc PR B 1 H43B 1 0.2652 -0.0528 0.2630 0.40 0.065 Uiso calc PR B 2 H44B 1 0.3184 -0.0770 0.2978 0.40 0.065 Uiso calc PR B 2 C1 1 0.9067(5) 0.4433(5) 0.41162(19) 1 0.0454(13) Uani d . . . H1 1 0.9403 0.4422 0.3848 1 0.054 Uiso calc R . . H2 1 0.8668 0.4816 0.4073 1 0.054 Uiso calc R . . C2 1 0.9923(6) 0.4992(6) 0.4457(2) 1 0.0518(15) Uani d . . . H3 1 1.0456 0.5720 0.4365 1 0.062 Uiso calc R . . H4 1 0.9590 0.5049 0.4719 1 0.062 Uiso calc R . . C3 1 1.0561(6) 0.2044(6) 0.4021(2) 1 0.0551(16) Uani d . . . H9 1 1.0972 0.2197 0.3757 1 0.066 Uiso calc R . . H10 1 1.0145 0.1261 0.4060 1 0.066 Uiso calc R . . C4 1 1.1308(6) 0.2564(7) 0.4387(3) 1 0.0630(19) Uani d . . . H11 1 1.1712 0.2193 0.4445 1 0.076 Uiso calc R . . H12 1 1.1822 0.3319 0.4322 1 0.076 Uiso calc R . . C5 1 0.7723(6) 0.1042(6) 0.5050(2) 1 0.0594(19) Uani d . . . H17 1 0.7407 0.0304 0.5157 1 0.071 Uiso calc R . . H18 1 0.7141 0.1190 0.4987 1 0.071 Uiso calc R . . C6 1 0.8510(7) 0.1857(7) 0.5377(2) 1 0.065(2) Uani d . . . H19 1 0.8118 0.1872 0.5628 1 0.078 Uiso calc R . . H20 1 0.9044 0.1658 0.5464 1 0.078 Uiso calc R . . C7 1 0.5783(6) 0.0143(5) 0.27478(17) 1 0.0462(14) Uani d . . . H23 1 0.6502 0.0265 0.2818 1 0.055 Uiso calc R . . H24 1 0.5310 -0.0630 0.2698 1 0.055 Uiso calc R . . C8 1 0.5845(5) 0.0771(5) 0.23481(17) 1 0.0394(11) Uani d . . . H25 1 0.6431 0.1518 0.2373 1 0.047 Uiso calc R . . H26 1 0.5984 0.0445 0.2101 1 0.047 Uiso calc R . . C9 1 0.5104(5) 0.3395(4) 0.26303(18) 1 0.0377(11) Uani d . . . H31 1 0.5694 0.4073 0.2520 1 0.045 Uiso calc R . . H32 1 0.4772 0.3556 0.2869 1 0.045 Uiso calc R . . C10 1 0.4285(5) 0.2806(5) 0.22910(18) 1 0.0431(13) Uani d . . . H33 1 0.4642 0.2762 0.2034 1 0.052 Uiso calc R . . H34 1 0.3898 0.3189 0.2223 1 0.052 Uiso calc R . . C11 1 0.2718(13) 0.0576(18) 0.3475(7) 0.60 0.050(4) Uani d PU C 1 H45 1 0.2618 0.0575 0.3781 0.60 0.060 Uiso calc PR C 1 H46 1 0.2142 0.0639 0.3336 0.60 0.060 Uiso calc PR C 1 C12 1 0.2671(11) -0.0436(11) 0.3345(4) 0.60 0.061(3) Uani d P C 1 H47 1 0.1941 -0.1048 0.3380 0.60 0.073 Uiso calc PR C 1 H48 1 0.3169 -0.0564 0.3514 0.60 0.073 Uiso calc PR C 1 C11B 1 0.302(2) 0.064(3) 0.3559(10) 0.40 0.054(7) Uani d PU C 2 H45B 1 0.2609 0.0846 0.3746 0.40 0.065 Uiso calc PR C 2 H46B 1 0.3334 0.0293 0.3730 0.40 0.065 Uiso calc PR C 2 C12B 1 0.2258(18) -0.016(2) 0.3203(7) 0.40 0.081(8) Uani d P C 2 H48B 1 0.1748 -0.0865 0.3326 0.40 0.098 Uiso calc PR C 2 H47B 1 0.1849 0.0129 0.3065 0.40 0.098 Uiso calc PR C 2 O1 1 1.067(2) -0.0366(18) 0.4088(7) 0.50 0.148(8) Uiso d P . . Cl8 1 0.9767(8) -0.1124(8) 0.3911(3) 0.25 0.073(2) Uiso d P D 1 O2 1 0.980(4) -0.206(4) 0.3913(16) 0.25 0.163(17) Uiso d P D 1 O3 1 0.983(4) -0.090(3) 0.3501(11) 0.25 0.120(12) Uiso d P . 1 O4 1 0.892(2) -0.117(2) 0.4065(8) 0.25 0.078(7) Uiso d P D 1 Cl8B 1 0.9796(6) -0.0780(6) 0.4365(3) 0.25 0.0568(16) Uiso d PD D 2 O2B 1 0.929(3) -0.184(3) 0.4280(12) 0.25 0.117(11) Uiso d P D 2 O3B 1 0.8965(16) -0.0561(16) 0.4310(6) 0.25 0.053(4) Uiso d P D 2 Cl9 1 1.0014(8) -0.0172(7) 0.4811(3) 0.62 0.180(3) Uiso d PD . . O5 2 0.7606(10) -0.2394(10) 0.5000 0.80 0.093(4) Uiso d SP . . O5B 1 0.8164(16) -0.4708(16) 0.3030(6) 0.40 0.092(5) Uiso d P . . O5C 1 0.9718(19) -0.0938(19) 0.4165(8) 0.20 0.044(5) Uiso d P D 3 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 0.0381(2) 0.0414(2) 0.03052(16) -0.00565(15) -0.00373(14) 0.01979(17) Cd2 0.0529(2) 0.0371(2) 0.02876(16) -0.00050(14) 0.00431(16) 0.02005(19) Co1 0.0294(3) 0.0399(4) 0.0275(3) -0.0001(3) -0.0049(3) 0.0043(3) Co2 0.0276(3) 0.0315(3) 0.0262(3) -0.0018(2) 0.0014(2) 0.0107(3) Cl1 0.0407(7) 0.0361(6) 0.0383(6) 0.0002(5) -0.0039(5) 0.0179(5) Cl2 0.0540(9) 0.0578(9) 0.0422(7) 0.0077(6) 0.0166(6) 0.0288(8) Cl3 0.0593(9) 0.0329(6) 0.0433(7) -0.0027(5) 0.0057(6) 0.0165(6) Cl4 0.0461(7) 0.0453(7) 0.0291(5) -0.0035(5) 0.0003(5) 0.0246(6) Cl5 0.0550(10) 0.0757(13) 0.0853(13) 0.0379(11) 0.0268(9) 0.0351(10) Cl6 0.0691(10) 0.0403(7) 0.0380(6) -0.0035(5) -0.0079(6) 0.0294(7) Cl7 0.0564(8) 0.0373(6) 0.0302(5) -0.0021(5) 0.0016(5) 0.0173(6) S1 0.0313(6) 0.0398(7) 0.0284(5) -0.0035(5) 0.0001(4) 0.0101(5) S2 0.0432(7) 0.0328(6) 0.0279(5) -0.0002(4) -0.0032(5) 0.0168(5) N1 0.043(3) 0.040(3) 0.042(3) -0.005(2) -0.008(2) 0.004(2) N2 0.031(2) 0.044(3) 0.037(2) 0.0010(19) -0.0021(18) 0.009(2) N3 0.039(3) 0.056(3) 0.057(3) 0.004(3) -0.015(2) 0.012(2) N4 0.037(2) 0.049(3) 0.035(2) 0.004(2) -0.0061(19) 0.004(2) N5 0.051(3) 0.060(3) 0.031(2) -0.002(2) -0.006(2) 0.017(3) N6 0.040(2) 0.038(2) 0.0288(19) -0.0045(17) -0.0015(17) 0.021(2) N7 0.033(2) 0.032(2) 0.0264(17) 0.0008(15) 0.0017(15) 0.0156(17) N8 0.037(2) 0.053(3) 0.040(2) -0.009(2) -0.0053(19) 0.029(2) N9 0.038(2) 0.044(3) 0.036(2) -0.0019(19) 0.0060(18) 0.016(2) N10 0.049(3) 0.040(3) 0.052(3) -0.008(2) 0.004(2) 0.006(2) C1 0.048(3) 0.040(3) 0.038(3) 0.001(2) -0.002(2) 0.014(3) C2 0.047(3) 0.041(3) 0.050(3) -0.010(3) -0.006(3) 0.009(3) C3 0.049(4) 0.067(4) 0.051(3) 0.006(3) 0.006(3) 0.030(3) C4 0.033(3) 0.065(5) 0.080(5) 0.018(4) 0.004(3) 0.017(3) C5 0.050(4) 0.059(4) 0.041(3) 0.015(3) 0.012(3) 0.007(3) C6 0.061(4) 0.078(5) 0.031(3) 0.013(3) 0.001(3) 0.016(4) C7 0.076(4) 0.048(3) 0.032(2) -0.009(2) -0.005(3) 0.043(3) C8 0.046(3) 0.046(3) 0.033(2) 0.001(2) 0.008(2) 0.028(3) C9 0.045(3) 0.035(3) 0.039(3) 0.0007(19) 0.004(2) 0.024(2) C10 0.047(3) 0.053(3) 0.037(3) 0.003(2) -0.001(2) 0.031(3) C11 0.022(7) 0.055(7) 0.055(10) -0.015(6) 0.005(6) 0.005(6) C12 0.046(7) 0.059(7) 0.052(7) 0.024(6) 0.017(5) 0.007(6) C11B 0.029(12) 0.063(12) 0.043(11) -0.011(8) 0.003(9) 0.004(10) C12B 0.047(11) 0.11(2) 0.048(10) 0.015(12) 0.002(9) 0.010(12) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Cd1 Cl2 2.5628(15) Cd1 S2 2.5890(14) Cd1 Cl1 2.6393(15) Cd1 S1 2.6561(13) Cd1 Cl4 2.7369(15) Cd1 Cl3 2.8430(16) Cd1 Co2 4.2207(8) Cd1 Co1 4.2961(9) Cd2 Cl5 2.517(2) Cd2 Cl7 2.5199(14) Cd2 Cl6 2.5813(16) Cd2 Cl4 2.6376(13) Cd2 Cl3 2.7033(15) Cd2 S1 3.0725(15) Co1 N2 1.951(5) Co1 N4 1.973(5) Co1 N1 1.974(5) Co1 N3 1.985(6) Co1 N5 1.992(5) Co1 S1 2.2666(17) Co1 Co2 8.5090(12) Co2 N7 1.956(4) Co2 N6 1.966(4) Co2 N9 1.982(5) Co2 N10 1.987(5) Co2 N8 1.991(5) Co2 S2 2.2556(16) S1 C1 1.814(6) S2 C7 1.821(6) N1 C2 1.510(10) N2 C3 1.473(9) N3 C4 1.472(10) N4 C5 1.495(8) N5 C6 1.478(10) N6 C8 1.483(7) N7 C9 1.486(7) N8 C10 1.488(8) N9 C11B 1.38(3) N9 C11 1.524(19) N10 C12 1.505(13) N10 C12B 1.53(3) C1 C2 1.511(9) C3 C4 1.485(11) C5 C6 1.532(10) C7 C8 1.515(8) C9 C10 1.486(8) C11 C12 1.46(3) C11B C12B 1.57(3) O1 Cl8 1.31(2) O1 Cl8B 1.38(2) Cl8 O4 1.27(3) Cl8 O3 1.31(3) Cl8 O2 1.35(5) Cl8B O2B 1.33(4) Cl8B O3B 1.37(2) Cl8B Cl9 1.590(9)