#------------------------------------------------------------------------------ #$Date: 2014-07-11 19:33:45 +0100 (Fri, 11 Jul 2014) $ #$Revision: 120075 $ #$URL: svn://www.crystallography.net/cod/cif/4/07/57/4075773.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4075773 loop_ _publ_author_name 'Tanaka, Shukichi' 'Dubs, Christian' 'Inagaki, Akiko' 'Akita, Munetaka' _publ_section_title ; Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand:  Dynamic and Diverse M···M Interactions in [(\m-X)Rh2(PNNP)(CO)2]n+and [(\m4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1:  PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato] ; _journal_issue 1 _journal_name_full Organometallics _journal_page_first 163 _journal_volume 24 _journal_year 2005 _chemical_formula_moiety 'C36 H27 Cl2 Co N2 O6 P2 Rh2 ' _chemical_formula_sum 'C36 H27 Cl2 Co N2 O6 P2 Rh2' _chemical_formula_weight 981.22 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 98.247(9) _cell_angle_beta 112.296(8) _cell_angle_gamma 88.002(3) _cell_formula_units_Z 2 _cell_length_a 11.917(2) _cell_length_b 14.475(2) _cell_length_c 11.636(1) _cell_measurement_reflns_used 7917 _cell_measurement_temperature 213.2 _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 1.9 _cell_volume 1837.5(4) _computing_cell_refinement PROCESS-AUTO _computing_data_collection PROCESS-AUTO _computing_data_reduction 'teXsan Ver. 1.11' _computing_publication_material 'teXsan Ver. 1.11' _computing_structure_refinement SHELXL97 _computing_structure_solution SIR92 _diffrn_detector_area_resol_mean 10.00 _diffrn_measurement_device_type 'Rigaku RAXIS-IV Imaging Plate' _diffrn_measurement_method \w _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 13327 _diffrn_reflns_theta_max 27.49 _exptl_absorpt_coefficient_mu 1.612 _exptl_absorpt_correction_T_max 0.851 _exptl_absorpt_correction_T_min 0.679 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(Higashi, 1995)' _exptl_crystal_colour unknown _exptl_crystal_density_diffrn 1.773 _exptl_crystal_density_method 'not measured' _exptl_crystal_description unknown _exptl_crystal_size_max 0.100 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.100 _refine_diff_density_max 0.64 _refine_diff_density_min -2.94 _refine_ls_extinction_coef 0.0000 _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.866 _refine_ls_hydrogen_treatment noref _refine_ls_number_parameters 460 _refine_ls_number_reflns 6774 _refine_ls_R_factor_gt 0.0725 _refine_ls_shift/su_max 0.0610 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.2215 _reflns_number_gt 6774 _reflns_number_total 7460 _reflns_threshold_expression >2.0sigma(I) _[local]_cod_data_source_file om049427vsi20040726_024341.cif _[local]_cod_data_source_block compound_4a _[local]_cod_cif_authors_sg_H-M 'P -1 ' _[local]_cod_chemical_formula_sum_orig 'C36 H27 Cl2 Co N2 O6 P2 Rh2 ' _cod_database_code 4075773 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z 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_calc_flag Rh(1) Rh 0.61400(3) 0.17358(3) 0.39956(4) 0.0332(2) Uani 1.00 d Rh(2) Rh 0.27937(3) 0.20880(3) 0.20964(4) 0.0328(2) Uani 1.00 d Co(1) Co 0.47041(6) 0.15289(5) 0.15680(7) 0.0334(2) Uani 1.00 d Cl(1) Cl 0.2115(3) 0.2653(3) 0.7442(4) 0.121(1) Uani 1.00 d Cl(2) Cl 0.3939(4) 0.4042(3) 0.9127(4) 0.124(1) Uani 1.00 d P(1) P 0.7083(1) 0.1730(1) 0.6080(1) 0.0332(3) Uani 1.00 d P(2) P 0.1431(1) 0.2553(1) 0.2962(1) 0.0336(3) Uani 1.00 d O(1) O 0.8360(4) 0.2517(4) 0.3865(5) 0.063(1) Uani 1.00 d O(2) O 0.1450(6) 0.2998(4) -0.0143(5) 0.070(2) Uani 1.00 d O(3) O 0.4933(4) 0.3524(3) 0.2619(5) 0.050(1) Uani 1.00 d O(4) O 0.4879(5) 0.1669(4) -0.0824(5) 0.067(1) Uani 1.00 d O(5) O 0.6567(5) 0.0123(3) 0.2221(5) 0.056(1) Uani 1.00 d O(6) O 0.2781(4) 0.0108(3) 0.0814(5) 0.050(1) Uani 1.00 d N(1) N 0.4679(4) 0.1389(3) 0.4410(4) 0.0348(9) Uani 1.00 d N(2) N 0.3495(4) 0.1521(3) 0.3743(5) 0.0353(9) Uani 1.00 d C(1) C 0.7500(6) 0.2205(5) 0.3874(6) 0.045(1) Uani 1.00 d C(2) C 0.1989(5) 0.2643(4) 0.0684(6) 0.043(1) Uani 1.00 d C(3) C 0.4816(5) 0.2718(4) 0.2294(6) 0.042(1) Uani 1.00 d C(4) C 0.4755(6) 0.1636(5) 0.0086(6) 0.046(1) Uani 1.00 d C(5) C 0.5891(6) 0.0719(4) 0.2152(6) 0.042(1) Uani 1.00 d C(6) C 0.3414(5) 0.0755(4) 0.1174(5) 0.038(1) Uani 1.00 d C(11) C 0.4778(5) 0.1192(4) 0.5555(5) 0.032(1) Uani 1.00 d C(12) C 0.3627(6) 0.1191(4) 0.5601(6) 0.040(1) Uani 1.00 d C(13) C 0.2861(5) 0.1412(4) 0.4457(6) 0.038(1) Uani 1.00 d C(14) C 0.6021(5) 0.1067(4) 0.6498(6) 0.037(1) Uani 1.00 d C(15) C 0.1518(5) 0.1617(4) 0.3896(6) 0.040(1) Uani 1.00 d C(21) C 0.7244(5) 0.2886(4) 0.6998(5) 0.038(1) Uani 1.00 d C(22) C 0.6204(7) 0.3377(5) 0.6949(8) 0.056(2) Uani 1.00 d C(23) C 0.6275(9) 0.4271(5) 0.7584(9) 0.069(2) Uani 1.00 d C(24) C 0.7414(9) 0.4687(5) 0.8257(8) 0.070(2) Uani 1.00 d C(25) C 0.8423(8) 0.4223(5) 0.8305(8) 0.070(2) Uani 1.00 d C(26) C 0.8374(7) 0.3329(5) 0.7688(7) 0.055(2) Uani 1.00 d C(31) C 0.8557(5) 0.1205(4) 0.6807(5) 0.036(1) Uani 1.00 d C(32) C 0.8953(5) 0.1087(5) 0.8044(6) 0.043(1) Uani 1.00 d C(33) C 1.0105(6) 0.0744(5) 0.8633(6) 0.048(1) Uani 1.00 d C(34) C 1.0835(5) 0.0526(5) 0.7976(7) 0.050(2) Uani 1.00 d C(35) C 1.0434(6) 0.0615(5) 0.6727(8) 0.054(2) Uani 1.00 d C(36) C 0.9293(6) 0.0955(5) 0.6130(6) 0.045(1) Uani 1.00 d C(41) C 0.1884(5) 0.3592(4) 0.4128(6) 0.040(1) Uani 1.00 d C(42) C 0.2897(6) 0.4113(5) 0.4290(6) 0.046(1) Uani 1.00 d C(43) C 0.3237(7) 0.4906(5) 0.5186(8) 0.060(2) Uani 1.00 d C(44) C 0.2556(7) 0.5182(5) 0.5909(7) 0.058(2) Uani 1.00 d C(45) C 0.1548(7) 0.4680(6) 0.5732(8) 0.065(2) Uani 1.00 d C(46) C 0.1216(6) 0.3878(6) 0.4880(7) 0.058(2) Uani 1.00 d C(51) C -0.0155(5) 0.2727(4) 0.2030(5) 0.036(1) Uani 1.00 d C(52) C -0.0591(6) 0.3620(4) 0.1865(6) 0.046(1) Uani 1.00 d C(53) C -0.1802(6) 0.3749(5) 0.1115(6) 0.051(2) Uani 1.00 d C(54) C -0.2567(5) 0.3012(5) 0.0542(7) 0.052(2) Uani 1.00 d C(55) C -0.2132(5) 0.2113(5) 0.0652(6) 0.049(1) Uani 1.00 d C(56) C -0.0922(5) 0.1966(4) 0.1408(6) 0.043(1) Uani 1.00 d C(61) C 0.347(1) 0.3279(8) 0.771(1) 0.099(3) Uani 1.00 d H(1) H 0.3407 0.1071 0.6273 0.0478 Uiso 1.00 calc H(2) H 0.6217 0.0415 0.6470 0.0433 Uiso 1.00 calc H(3) H 0.6066 0.1294 0.7329 0.0433 Uiso 1.00 calc H(4) H 0.1210 0.1810 0.4532 0.0484 Uiso 1.00 calc H(5) H 0.1070 0.1074 0.3375 0.0484 Uiso 1.00 calc H(6) H 0.5415 0.3095 0.6478 0.0686 Uiso 1.00 calc H(7) H 0.5537 0.4585 0.7572 0.0820 Uiso 1.00 calc H(8) H 0.7485 0.5322 0.8681 0.0877 Uiso 1.00 calc H(9) H 0.9216 0.4516 0.8805 0.0822 Uiso 1.00 calc H(10) H 0.9113 0.3016 0.7729 0.0689 Uiso 1.00 calc H(11) H 0.8439 0.1242 0.8504 0.0533 Uiso 1.00 calc H(12) H 1.0387 0.0664 0.9519 0.0560 Uiso 1.00 calc H(13) H 1.1642 0.0303 0.8391 0.0592 Uiso 1.00 calc H(14) H 1.0927 0.0463 0.6246 0.0646 Uiso 1.00 calc H(15) H 0.9006 0.1001 0.5255 0.0539 Uiso 1.00 calc H(16) H 0.3374 0.3931 0.3792 0.0568 Uiso 1.00 calc H(17) H 0.3954 0.5269 0.5317 0.0694 Uiso 1.00 calc H(18) H 0.2806 0.5734 0.6531 0.0688 Uiso 1.00 calc H(19) H 0.1061 0.4874 0.6219 0.0794 Uiso 1.00 calc H(20) H 0.0515 0.3517 0.4780 0.0715 Uiso 1.00 calc H(21) H -0.0059 0.4151 0.2284 0.0551 Uiso 1.00 calc H(22) H -0.2084 0.4371 0.0997 0.0654 Uiso 1.00 calc H(23) H -0.3405 0.3122 0.0086 0.0611 Uiso 1.00 calc H(24) H -0.2661 0.1584 0.0212 0.0590 Uiso 1.00 calc H(25) H -0.0630 0.1345 0.1477 0.0514 Uiso 1.00 calc H(26) H 0.4117 0.2840 0.7724 0.1162 Uiso 1.00 calc H(27) H 0.3355 0.3623 0.7022 0.1162 Uiso 1.00 calc loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Rh(1) 0.0231(3) 0.0362(3) 0.0366(3) -0.0009(2) 0.0092(2) -0.0009(2) Rh(2) 0.0227(2) 0.0334(3) 0.0386(3) 0.0027(2) 0.0097(2) -0.0003(2) Co(1) 0.0246(4) 0.0339(4) 0.0379(4) 0.0009(3) 0.0105(3) -0.0030(3) Cl(1) 0.113(3) 0.159(3) 0.104(2) -0.025(2) 0.058(2) 0.005(2) Cl(2) 0.124(3) 0.108(2) 0.122(3) 0.021(2) 0.037(2) -0.008(2) P(1) 0.0239(6) 0.0331(7) 0.0372(7) 0.0019(5) 0.0074(5) 0.0000(5) P(2) 0.0207(6) 0.0342(7) 0.0419(8) 0.0019(5) 0.0103(5) -0.0019(5) O(1) 0.031(2) 0.084(4) 0.071(3) -0.019(2) 0.015(2) 0.012(3) O(2) 0.071(4) 0.067(4) 0.051(3) 0.000(3) 0.000(3) 0.014(3) O(3) 0.039(2) 0.037(2) 0.066(3) -0.002(2) 0.013(2) -0.003(2) O(4) 0.066(4) 0.085(4) 0.051(3) -0.018(3) 0.023(3) 0.005(3) O(5) 0.049(3) 0.051(3) 0.063(3) 0.020(2) 0.020(2) -0.003(2) O(6) 0.043(2) 0.035(2) 0.064(3) -0.008(2) 0.017(2) -0.011(2) N(1) 0.021(2) 0.041(2) 0.038(2) 0.004(2) 0.008(2) 0.004(2) N(2) 0.021(2) 0.039(2) 0.043(3) 0.001(2) 0.010(2) 0.000(2) C(1) 0.043(3) 0.056(4) 0.036(3) -0.004(3) 0.013(2) 0.004(2) C(2) 0.030(3) 0.041(3) 0.050(3) 0.001(2) 0.010(2) 0.002(2) C(3) 0.031(3) 0.049(3) 0.041(3) -0.003(2) 0.010(2) -0.003(2) C(4) 0.041(3) 0.048(3) 0.047(4) -0.008(3) 0.018(3) -0.006(3) C(5) 0.042(3) 0.039(3) 0.044(3) -0.005(2) 0.018(2) -0.007(2) C(6) 0.024(2) 0.044(3) 0.038(3) 0.005(2) 0.007(2) -0.001(2) C(11) 0.028(2) 0.030(2) 0.034(3) -0.002(2) 0.009(2) -0.002(2) C(12) 0.038(3) 0.038(3) 0.048(3) 0.000(2) 0.019(2) 0.004(2) C(13) 0.034(3) 0.032(3) 0.051(3) -0.001(2) 0.020(2) -0.001(2) C(14) 0.028(3) 0.035(3) 0.043(3) -0.002(2) 0.010(2) 0.004(2) C(15) 0.025(3) 0.045(3) 0.047(3) -0.002(2) 0.013(2) 0.001(2) C(21) 0.038(3) 0.037(3) 0.034(3) -0.001(2) 0.010(2) 0.002(2) C(22) 0.058(4) 0.035(3) 0.073(5) 0.009(3) 0.026(3) 0.002(3) C(23) 0.092(6) 0.042(4) 0.075(6) 0.011(4) 0.039(5) -0.003(3) C(24) 0.099(7) 0.031(3) 0.070(5) 0.001(4) 0.024(4) -0.003(3) C(25) 0.077(6) 0.045(4) 0.073(5) -0.024(4) 0.016(4) -0.009(3) C(26) 0.046(4) 0.047(4) 0.057(4) -0.013(3) 0.006(3) -0.005(3) C(31) 0.026(2) 0.035(3) 0.041(3) 0.002(2) 0.008(2) -0.001(2) C(32) 0.028(3) 0.054(4) 0.044(3) 0.004(2) 0.011(2) 0.006(3) C(33) 0.031(3) 0.058(4) 0.047(3) 0.007(3) 0.006(2) 0.011(3) C(34) 0.026(3) 0.051(4) 0.063(4) 0.005(2) 0.005(2) 0.007(3) C(35) 0.036(3) 0.053(4) 0.077(5) 0.015(3) 0.027(3) 0.012(3) C(36) 0.038(3) 0.050(3) 0.043(3) 0.003(3) 0.013(2) 0.002(2) C(41) 0.028(3) 0.043(3) 0.042(3) -0.001(2) 0.009(2) -0.007(2) C(42) 0.037(3) 0.051(3) 0.046(4) -0.008(3) 0.015(2) -0.006(3) C(43) 0.053(4) 0.051(4) 0.065(5) -0.022(3) 0.016(3) -0.013(3) C(44) 0.052(4) 0.046(4) 0.059(4) 0.002(3) 0.010(3) -0.014(3) C(45) 0.044(4) 0.076(5) 0.069(5) 0.004(3) 0.026(3) -0.022(4) C(46) 0.032(3) 0.071(5) 0.062(4) -0.007(3) 0.017(3) -0.023(3) C(51) 0.025(2) 0.043(3) 0.035(3) -0.001(2) 0.009(2) -0.004(2) C(52) 0.038(3) 0.040(3) 0.056(4) 0.000(2) 0.016(3) 0.001(3) C(53) 0.047(4) 0.050(4) 0.047(4) 0.015(3) 0.008(3) 0.006(3) C(54) 0.023(3) 0.067(4) 0.054(4) 0.006(3) 0.001(2) 0.008(3) C(55) 0.029(3) 0.058(4) 0.047(3) 0.000(3) 0.003(2) -0.007(3) C(56) 0.025(3) 0.038(3) 0.052(3) -0.001(2) 0.004(2) -0.008(2) C(61) 0.13(1) 0.080(7) 0.110(9) 0.001(7) 0.066(8) 0.014(6) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; H H 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.4) ; O O 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; N N 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Co Co 0.349 0.972 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Rh Rh -1.118 0.919 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; P P 0.102 0.094 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; Cl Cl 0.148 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag Co(1) Rh(1) P(1) 168.84(5) yes Co(1) Rh(1) N(1) 89.2(1) yes Co(1) Rh(1) C(1) 98.4(2) yes Co(1) Rh(1) C(5) 41.3(1) yes P(1) Rh(1) N(1) 80.5(1) yes P(1) Rh(1) C(1) 92.3(2) yes P(1) Rh(1) C(5) 137.3(1) yes N(1) Rh(1) C(1) 169.8(2) yes N(1) Rh(1) C(5) 103.1(2) yes C(1) Rh(1) C(5) 87.1(3) yes Co(1) Rh(2) P(2) 168.06(4) yes Co(1) Rh(2) N(2) 90.1(1) yes Co(1) Rh(2) C(2) 97.7(2) yes Co(1) Rh(2) C(6) 42.1(1) yes P(2) Rh(2) N(2) 79.0(2) yes P(2) Rh(2) C(2) 93.2(2) yes P(2) Rh(2) C(6) 140.5(2) yes N(2) Rh(2) C(2) 172.1(3) yes N(2) Rh(2) C(6) 86.7(2) yes C(2) Rh(2) C(6) 99.1(3) yes Rh(1) Co(1) Rh(2) 91.67(3) yes Rh(1) Co(1) C(3) 67.8(2) yes Rh(1) Co(1) C(4) 140.2(2) yes Rh(1) Co(1) C(5) 59.6(2) yes Rh(1) Co(1) C(6) 113.5(2) yes Rh(2) Co(1) C(3) 66.0(2) yes Rh(2) Co(1) C(4) 120.7(2) yes Rh(2) Co(1) C(5) 134.6(3) yes Rh(2) Co(1) C(6) 58.9(2) yes C(3) Co(1) C(4) 102.8(3) yes C(3) Co(1) C(5) 121.7(2) yes C(3) Co(1) C(6) 124.9(3) yes C(4) Co(1) C(5) 101.9(3) yes C(4) Co(1) C(6) 103.5(3) yes C(5) Co(1) C(6) 98.7(3) yes Rh(1) P(1) C(14) 104.1(2) yes Rh(1) P(1) C(21) 113.5(2) yes Rh(1) P(1) C(31) 123.7(2) yes C(14) P(1) C(21) 105.4(3) yes C(14) P(1) C(31) 104.6(3) yes C(21) P(1) C(31) 103.7(2) yes Rh(2) P(2) C(15) 101.4(2) yes Rh(2) P(2) C(41) 114.7(2) yes Rh(2) P(2) C(51) 122.7(2) yes C(15) P(2) C(41) 103.4(3) yes C(15) P(2) C(51) 108.5(3) yes C(41) P(2) C(51) 104.4(3) yes Rh(1) N(1) N(2) 126.8(4) yes Rh(1) N(1) C(11) 123.8(3) yes N(2) N(1) C(11) 107.7(5) yes Rh(2) N(2) N(1) 126.4(4) yes Rh(2) N(2) C(13) 123.7(4) yes N(1) N(2) C(13) 108.5(5) yes Rh(1) C(1) O(1) 176.3(6) yes Rh(2) C(2) O(2) 175.8(7) yes Co(1) C(3) O(3) 169.7(7) yes Co(1) C(4) O(4) 174.2(6) yes Rh(1) C(5) Co(1) 79.1(2) yes Rh(1) C(5) O(5) 117.4(4) yes Co(1) C(5) O(5) 163.4(6) yes Rh(2) C(6) Co(1) 79.0(2) yes Rh(2) C(6) O(6) 118.8(5) yes Co(1) C(6) O(6) 162.2(6) yes N(1) C(11) C(12) 108.9(4) yes N(1) C(11) C(14) 117.9(6) yes C(12) C(11) C(14) 133.1(6) yes C(11) C(12) C(13) 104.8(6) yes N(2) C(13) C(12) 110.0(6) yes N(2) C(13) C(15) 115.8(5) yes C(12) C(13) C(15) 134.1(7) yes P(1) C(14) C(11) 106.6(4) yes P(2) C(15) C(13) 104.3(5) yes P(1) C(21) C(22) 119.0(4) yes P(1) C(21) C(26) 122.6(5) yes C(22) C(21) C(26) 118.3(6) yes C(21) C(22) C(23) 121.4(7) yes C(22) C(23) C(24) 118.6(9) yes C(23) C(24) C(25) 120.6(7) yes C(24) C(25) C(26) 121.8(8) yes C(21) C(26) C(25) 119.4(7) yes P(1) C(31) C(32) 119.2(5) yes P(1) C(31) C(36) 120.8(4) yes C(32) C(31) C(36) 120.0(5) yes C(31) C(32) C(33) 119.9(7) yes C(32) C(33) C(34) 119.9(7) yes C(33) C(34) C(35) 120.6(6) yes C(34) C(35) C(36) 120.1(8) yes C(31) C(36) C(35) 119.4(7) yes P(2) C(41) C(42) 120.3(5) yes P(2) C(41) C(46) 120.8(5) yes C(42) C(41) C(46) 118.9(6) yes C(41) C(42) C(43) 119.9(7) yes C(42) C(43) C(44) 120.3(7) yes C(43) C(44) C(45) 119.7(7) yes C(44) C(45) C(46) 121.0(9) yes C(41) C(46) C(45) 120.2(7) yes P(2) C(51) C(52) 120.6(4) yes P(2) C(51) C(56) 120.1(4) yes C(52) C(51) C(56) 119.2(5) yes C(51) C(52) C(53) 120.3(5) yes C(52) C(53) C(54) 120.8(6) yes C(53) C(54) C(55) 119.5(6) yes C(54) C(55) C(56) 120.7(6) yes C(51) C(56) C(55) 119.4(5) yes Cl(1) C(61) Cl(2) 111.7(9) yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Rh(1) Co(1) 2.6688(8) yes Rh(1) P(1) 2.255(1) yes Rh(1) N(1) 2.070(5) yes Rh(1) C(1) 1.840(8) yes Rh(1) C(5) 2.345(6) yes Rh(2) Co(1) 2.647(1) yes Rh(2) P(2) 2.252(2) yes Rh(2) N(2) 2.057(5) yes Rh(2) C(2) 1.842(7) yes Rh(2) C(6) 2.308(6) yes Co(1) C(3) 1.790(6) yes Co(1) C(4) 1.778(8) yes Co(1) C(5) 1.794(6) yes Co(1) C(6) 1.807(6) yes Cl(1) C(61) 1.78(2) yes Cl(2) C(61) 1.76(1) yes P(1) C(14) 1.856(7) yes P(1) C(21) 1.826(6) yes P(1) C(31) 1.828(5) yes P(2) C(15) 1.831(7) yes P(2) C(41) 1.820(6) yes P(2) C(51) 1.818(5) yes O(1) C(1) 1.139(10) yes O(2) C(2) 1.119(9) yes O(3) C(3) 1.170(8) yes O(4) C(4) 1.13(1) yes O(5) C(5) 1.149(8) yes O(6) C(6) 1.148(7) yes N(1) N(2) 1.350(6) yes N(1) C(11) 1.364(8) yes N(2) C(13) 1.345(10) yes C(11) C(12) 1.392(9) yes C(11) C(14) 1.495(7) yes C(12) C(13) 1.374(8) yes C(13) C(15) 1.518(8) yes C(21) C(22) 1.39(1) yes C(21) C(26) 1.400(9) yes C(22) C(23) 1.38(1) yes C(23) C(24) 1.39(1) yes C(24) C(25) 1.34(1) yes C(25) C(26) 1.38(1) yes C(31) C(32) 1.369(9) yes C(31) C(36) 1.39(1) yes C(32) C(33) 1.392(8) yes C(33) C(34) 1.36(1) yes C(34) C(35) 1.37(1) yes C(35) C(36) 1.381(9) yes C(41) C(42) 1.383(9) yes C(41) C(46) 1.40(1) yes C(42) C(43) 1.393(9) yes C(43) C(44) 1.39(1) yes C(44) C(45) 1.36(1) yes C(45) C(46) 1.37(1) yes C(51) C(52) 1.387(9) yes C(51) C(56) 1.383(7) yes C(52) C(53) 1.397(9) yes C(53) C(54) 1.348(9) yes C(54) C(55) 1.39(1) yes C(55) C(56) 1.403(8) yes loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_2 Rh(1) Co(1) 2.6688(8) . Rh(2) Co(1) 2.647(1) . Cl(1) O(2) 3.167(8) 1_556 Cl(1) C(35) 3.443(9) 1_455 Cl(1) O(4) 3.522(7) 1_556 Cl(2) O(4) 3.577(7) 1_556 O(1) C(56) 3.270(10) 1_655 O(1) C(51) 3.297(10) 1_655 O(1) C(44) 3.474(9) 2_666 O(1) C(55) 3.521(10) 1_655 O(1) C(52) 3.60(1) 1_655 O(2) C(33) 3.542(9) 1_454 O(3) C(43) 3.300(8) 2_666 O(3) C(44) 3.313(8) 2_666 O(3) C(23) 3.457(9) 2_666 O(4) O(5) 3.052(7) 2_655 O(4) C(61) 3.14(1) 1_554 O(4) C(55) 3.355(8) 1_655 O(4) C(54) 3.380(9) 1_655 O(4) C(5) 3.576(8) 2_655 O(5) C(34) 3.286(9) 2_756 O(5) C(4) 3.359(7) 2_655 O(5) C(12) 3.458(10) 2_656 O(5) C(35) 3.494(8) 2_756 O(6) C(34) 3.364(8) 1_454 O(6) C(55) 3.384(8) 2_555 O(6) C(33) 3.433(7) 1_454 O(6) C(32) 3.467(10) 2_656 O(6) C(14) 3.561(8) 2_656 N(1) C(14) 3.592(7) 2_656 C(2) C(33) 3.574(8) 1_454 C(4) C(55) 3.587(10) 1_655 C(24) C(42) 3.54(1) 2_666 C(24) C(53) 3.55(1) 1_656 C(25) C(53) 3.54(1) 1_656 C(45) C(45) 3.58(1) 2_566 _journal_paper_doi 10.1021/om049427v