#------------------------------------------------------------------------------ #$Date: 2014-07-11 19:33:45 +0100 (Fri, 11 Jul 2014) $ #$Revision: 120075 $ #$URL: svn://www.crystallography.net/cod/cif/4/07/57/4075772.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_4075772 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 'C40 H32 N2 O2 P2 Rh2 ' _chemical_formula_sum 'C40 H32 N2 O2 P2 Rh2' _chemical_formula_weight 840.46 _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 104.022(4) _cell_angle_beta 108.780(3) _cell_angle_gamma 65.142(2) _cell_formula_units_Z 2 _cell_length_a 12.8840(9) _cell_length_b 12.8835(8) _cell_length_c 12.7042(7) _cell_measurement_reflns_used 6985 _cell_measurement_temperature 213.2 _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 2.2 _cell_volume 1797.4(2) _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 SHELXS86 _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 16 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_number 14069 _diffrn_reflns_theta_max 27.48 _exptl_absorpt_coefficient_mu 1.042 _exptl_absorpt_correction_T_max 0.901 _exptl_absorpt_correction_T_min 0.700 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(Higashi, 1995)' _exptl_crystal_colour unknown _exptl_crystal_density_diffrn 1.553 _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 1.23 _refine_diff_density_min -1.96 _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 1.271 _refine_ls_hydrogen_treatment noref _refine_ls_number_parameters 433 _refine_ls_number_reflns 6991 _refine_ls_R_factor_gt 0.0431 _refine_ls_shift/su_max -0.0010 _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 0.1450 _reflns_number_gt 6991 _reflns_number_total 7401 _reflns_threshold_expression >2.0sigma(I) _[local]_cod_data_source_file om049427vsi20040726_024341.cif _[local]_cod_data_source_block compound_2e _[local]_cod_cif_authors_sg_H-M 'P -1 ' _[local]_cod_chemical_formula_sum_orig 'C40 H32 N2 O2 P2 Rh2 ' _cod_database_code 4075772 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 -0.23767(2) 0.32593(2) 0.24990(2) 0.0230(1) Uani 1.00 d Rh(2) Rh 0.06519(2) 0.25238(2) 0.41405(2) 0.0223(1) Uani 1.00 d P(1) P -0.41342(6) 0.40810(6) 0.29801(6) 0.0237(2) Uani 1.00 d P(2) P 0.12616(6) 0.26511(6) 0.60132(6) 0.0229(2) Uani 1.00 d O(01) O -0.3045(3) 0.1815(3) 0.0391(3) 0.072(1) Uani 1.00 d O(02) O 0.2828(2) 0.0494(2) 0.3868(2) 0.0464(6) Uani 1.00 d N(1) N -0.1903(2) 0.4146(2) 0.4007(2) 0.0244(4) Uani 1.00 d N(2) N -0.0764(2) 0.3877(2) 0.4622(2) 0.0248(4) Uani 1.00 d C(1) C -0.0666(2) 0.2699(3) 0.2368(2) 0.0265(5) Uani 1.00 d C(01) C -0.2798(3) 0.2386(3) 0.1195(3) 0.0398(7) Uani 1.00 d C(2) C 0.0254(3) 0.2514(3) 0.2169(2) 0.0311(6) Uani 1.00 d C(02) C 0.1983(3) 0.1283(3) 0.3949(3) 0.0305(6) Uani 1.00 d C(3) C 0.1159(3) 0.2315(3) 0.1620(2) 0.0291(6) Uani 1.00 d C(4) C 0.1272(3) 0.3241(3) 0.1340(3) 0.0346(6) Uani 1.00 d C(5) C 0.2148(3) 0.3051(3) 0.0818(3) 0.0380(7) Uani 1.00 d C(6) C 0.2924(3) 0.1953(3) 0.0558(3) 0.0353(7) Uani 1.00 d C(7) C 0.2799(3) 0.1018(3) 0.0813(3) 0.0364(7) Uani 1.00 d C(8) C 0.1920(3) 0.1197(3) 0.1327(3) 0.0348(6) Uani 1.00 d C(9) C 0.3901(4) 0.1750(4) 0.0034(4) 0.0545(10) Uani 1.00 d C(11) C -0.2617(3) 0.4862(2) 0.4674(2) 0.0243(5) Uani 1.00 d C(12) C -0.1925(3) 0.5061(3) 0.5743(2) 0.0287(6) Uani 1.00 d C(13) C -0.0766(3) 0.4421(2) 0.5672(2) 0.0256(5) Uani 1.00 d C(14) C -0.3920(3) 0.5216(3) 0.4155(3) 0.0258(6) Uani 1.00 d C(15) C 0.0415(3) 0.4157(3) 0.6492(3) 0.0288(6) Uani 1.00 d C(21) C -0.4429(2) 0.3142(2) 0.3635(2) 0.0260(5) Uani 1.00 d C(22) C -0.3586(3) 0.2654(3) 0.4565(3) 0.0358(7) Uani 1.00 d C(23) C -0.3817(3) 0.1977(3) 0.5114(3) 0.0421(8) Uani 1.00 d C(24) C -0.4845(3) 0.1769(3) 0.4714(3) 0.0418(7) Uani 1.00 d C(25) C -0.5668(3) 0.2231(3) 0.3775(3) 0.0385(7) Uani 1.00 d C(26) C -0.5461(3) 0.2924(3) 0.3232(3) 0.0326(6) Uani 1.00 d C(31) C -0.5565(2) 0.4841(2) 0.2075(2) 0.0272(5) Uani 1.00 d C(32) C -0.6492(3) 0.5580(3) 0.2526(3) 0.0418(8) Uani 1.00 d C(33) C -0.7573(3) 0.6224(3) 0.1847(4) 0.0484(9) Uani 1.00 d C(34) C -0.7695(3) 0.6073(4) 0.0698(4) 0.0508(9) Uani 1.00 d C(35) C -0.6772(3) 0.5329(3) 0.0234(3) 0.0416(8) Uani 1.00 d C(36) C -0.5701(3) 0.4700(3) 0.0928(3) 0.0332(6) Uani 1.00 d C(41) C 0.0787(3) 0.1814(3) 0.6608(3) 0.0330(6) Uani 1.00 d C(42) C 0.1060(5) 0.1776(5) 0.7730(3) 0.065(1) Uani 1.00 d C(43) C 0.0653(5) 0.1156(6) 0.8155(4) 0.072(2) Uani 1.00 d C(44) C -0.0029(6) 0.0599(5) 0.7469(5) 0.082(2) Uani 1.00 d C(45) C -0.0490(5) 0.0771(5) 0.6334(4) 0.065(1) Uani 1.00 d C(46) C -0.0079(4) 0.1375(4) 0.5903(3) 0.0534(10) Uani 1.00 d C(51) C 0.2798(2) 0.2342(3) 0.6769(2) 0.0263(5) Uani 1.00 d C(52) C 0.3230(3) 0.3190(3) 0.7340(3) 0.0343(6) Uani 1.00 d C(53) C 0.4437(3) 0.2896(3) 0.7864(3) 0.0390(7) Uani 1.00 d C(54) C 0.5196(3) 0.1754(4) 0.7797(3) 0.0408(8) Uani 1.00 d C(55) C 0.4762(3) 0.0905(3) 0.7241(3) 0.0407(8) Uani 1.00 d C(56) C 0.3580(3) 0.1180(3) 0.6721(3) 0.0361(7) Uani 1.00 d H(1) H 0.0746 0.4018 0.1514 0.0415 Uiso 1.00 calc H(2) H 0.2218 0.3685 0.0624 0.0449 Uiso 1.00 calc H(3) H 0.3319 0.0260 0.0618 0.0433 Uiso 1.00 calc H(4) H 0.1851 0.0552 0.1497 0.0411 Uiso 1.00 calc H(5) H 0.3966 0.1095 -0.0535 0.0546 Uiso 1.00 calc H(6) H 0.4636 0.1599 0.0599 0.0546 Uiso 1.00 calc H(7) H 0.3728 0.2417 -0.0296 0.0546 Uiso 1.00 calc H(8) H -0.2188 0.5548 0.6378 0.0335 Uiso 1.00 calc H(9) H -0.4219 0.5943 0.3885 0.0312 Uiso 1.00 calc H(10) H -0.4315 0.5285 0.4700 0.0312 Uiso 1.00 calc H(11) H 0.0348 0.4237 0.7234 0.0349 Uiso 1.00 calc H(12) H 0.0779 0.4661 0.6471 0.0349 Uiso 1.00 calc H(13) H -0.2871 0.2796 0.4847 0.0409 Uiso 1.00 calc H(14) H -0.3237 0.1651 0.5762 0.0498 Uiso 1.00 calc H(15) H -0.5006 0.1315 0.5096 0.0497 Uiso 1.00 calc H(16) H -0.6372 0.2066 0.3478 0.0464 Uiso 1.00 calc H(17) H -0.6025 0.3241 0.2583 0.0395 Uiso 1.00 calc H(18) H -0.6398 0.5644 0.3312 0.0510 Uiso 1.00 calc H(19) H -0.8210 0.6744 0.2162 0.0574 Uiso 1.00 calc H(20) H -0.8446 0.6483 0.0235 0.0607 Uiso 1.00 calc H(21) H -0.6860 0.5252 -0.0553 0.0516 Uiso 1.00 calc H(22) H -0.5053 0.4181 0.0612 0.0394 Uiso 1.00 calc H(23) H 0.1567 0.2152 0.8238 0.0828 Uiso 1.00 calc H(24) H 0.0827 0.1193 0.8965 0.0861 Uiso 1.00 calc H(25) H -0.0157 0.0044 0.7756 0.0965 Uiso 1.00 calc H(26) H -0.1097 0.0484 0.5863 0.0756 Uiso 1.00 calc H(27) H -0.0354 0.1478 0.5120 0.0648 Uiso 1.00 calc H(28) H 0.2713 0.3978 0.7368 0.0419 Uiso 1.00 calc H(29) H 0.4735 0.3478 0.8267 0.0469 Uiso 1.00 calc H(30) H 0.6021 0.1544 0.8133 0.0475 Uiso 1.00 calc H(31) H 0.5288 0.0133 0.7228 0.0496 Uiso 1.00 calc H(32) H 0.3295 0.0582 0.6313 0.0419 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) 0.0188(2) 0.0291(2) 0.0212(2) -0.0089(1) 0.0057(1) 0.0026(1) Rh(2) 0.0183(2) 0.0262(2) 0.0227(2) -0.0077(1) 0.0059(1) 0.0036(1) P(1) 0.0178(3) 0.0293(4) 0.0245(3) -0.0086(3) 0.0054(3) 0.0042(3) P(2) 0.0205(3) 0.0250(3) 0.0234(3) -0.0099(3) 0.0038(3) 0.0032(3) O(01) 0.073(2) 0.071(2) 0.050(2) -0.033(2) -0.001(1) -0.024(2) O(02) 0.037(1) 0.042(1) 0.052(1) 0.007(1) 0.024(1) 0.014(1) N(1) 0.018(1) 0.030(1) 0.025(1) -0.0098(9) 0.0050(9) 0.0024(9) N(2) 0.019(1) 0.029(1) 0.024(1) -0.0074(9) 0.0058(9) 0.0021(9) C(1) 0.023(1) 0.037(1) 0.018(1) -0.011(1) 0.0047(10) 0.003(1) C(01) 0.034(2) 0.043(2) 0.036(2) -0.012(1) 0.007(1) 0.001(1) C(2) 0.027(1) 0.039(2) 0.023(1) -0.008(1) 0.005(1) 0.004(1) C(02) 0.031(1) 0.035(1) 0.027(1) -0.012(1) 0.009(1) 0.006(1) C(3) 0.025(1) 0.041(2) 0.023(1) -0.013(1) 0.007(1) 0.002(1) C(4) 0.032(2) 0.036(2) 0.035(2) -0.011(1) 0.012(1) 0.001(1) C(5) 0.041(2) 0.044(2) 0.038(2) -0.022(1) 0.015(1) 0.003(1) C(6) 0.028(1) 0.053(2) 0.029(1) -0.016(1) 0.009(1) 0.007(1) C(7) 0.033(2) 0.040(2) 0.034(2) -0.007(1) 0.016(1) 0.001(1) C(8) 0.037(2) 0.035(2) 0.036(2) -0.013(1) 0.016(1) 0.002(1) C(9) 0.043(2) 0.075(3) 0.055(2) -0.018(2) 0.029(2) 0.011(2) C(11) 0.022(1) 0.026(1) 0.026(1) -0.010(1) 0.008(1) 0.001(1) C(12) 0.025(1) 0.029(1) 0.029(1) -0.009(1) 0.007(1) -0.001(1) C(13) 0.023(1) 0.026(1) 0.026(1) -0.010(1) 0.006(1) -0.002(1) C(14) 0.019(1) 0.029(1) 0.029(1) -0.007(1) 0.008(1) 0.003(1) C(15) 0.025(1) 0.027(1) 0.029(1) -0.011(1) 0.002(1) 0.000(1) C(21) 0.022(1) 0.029(1) 0.027(1) -0.008(1) 0.009(1) 0.002(1) C(22) 0.030(1) 0.037(2) 0.040(2) -0.012(1) 0.003(1) 0.014(1) C(23) 0.049(2) 0.035(2) 0.040(2) -0.013(1) 0.008(2) 0.011(1) C(24) 0.053(2) 0.031(2) 0.050(2) -0.015(1) 0.022(2) 0.007(1) C(25) 0.039(2) 0.037(2) 0.049(2) -0.020(1) 0.017(1) 0.003(1) C(26) 0.029(1) 0.033(2) 0.036(2) -0.013(1) 0.009(1) 0.003(1) C(31) 0.021(1) 0.030(1) 0.028(1) -0.009(1) 0.000(1) 0.008(1) C(32) 0.031(2) 0.050(2) 0.036(2) -0.010(1) 0.004(1) 0.007(2) C(33) 0.029(2) 0.043(2) 0.056(2) 0.000(1) 0.006(1) 0.005(2) C(34) 0.034(2) 0.051(2) 0.051(2) -0.008(2) -0.011(2) 0.023(2) C(35) 0.037(2) 0.052(2) 0.035(2) -0.019(2) -0.004(1) 0.017(2) C(36) 0.031(1) 0.039(2) 0.033(2) -0.014(1) 0.005(1) 0.012(1) C(41) 0.037(2) 0.039(2) 0.031(1) -0.021(1) 0.010(1) 0.004(1) C(42) 0.073(3) 0.115(4) 0.036(2) -0.065(3) -0.006(2) 0.030(2) C(43) 0.067(3) 0.123(5) 0.053(2) -0.055(3) 0.000(2) 0.045(3) C(44) 0.123(5) 0.088(4) 0.083(4) -0.066(4) 0.044(4) 0.017(3) C(45) 0.075(3) 0.076(3) 0.066(3) -0.053(3) 0.018(2) 0.001(2) C(46) 0.059(2) 0.073(3) 0.039(2) -0.039(2) 0.005(2) 0.009(2) C(51) 0.021(1) 0.034(1) 0.024(1) -0.009(1) 0.000(1) 0.011(1) C(52) 0.031(1) 0.037(2) 0.035(2) -0.015(1) 0.001(1) 0.010(1) C(53) 0.029(1) 0.054(2) 0.039(2) -0.024(1) -0.001(1) 0.012(2) C(54) 0.024(1) 0.067(2) 0.031(2) -0.018(1) -0.002(1) 0.014(2) C(55) 0.031(2) 0.046(2) 0.029(2) -0.001(1) 0.003(1) 0.006(1) C(56) 0.031(1) 0.032(2) 0.035(2) -0.008(1) 0.003(1) -0.001(1) 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) ; P P 0.102 0.094 ;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) ; 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 P(1) Rh(1) N(1) 80.07(8) yes P(1) Rh(1) C(1) 168.28(8) yes P(1) Rh(1) C(01) 99.1(1) yes N(1) Rh(1) C(1) 88.2(1) yes N(1) Rh(1) C(01) 176.0(2) yes C(1) Rh(1) C(01) 92.7(1) yes P(2) Rh(2) N(2) 77.89(6) yes P(2) Rh(2) C(1) 158.29(8) yes P(2) Rh(2) C(2) 170.2(1) yes P(2) Rh(2) C(02) 93.15(9) yes N(2) Rh(2) C(1) 82.55(9) yes N(2) Rh(2) C(2) 105.22(9) yes N(2) Rh(2) C(02) 170.8(1) yes C(1) Rh(2) C(2) 29.5(1) yes C(1) Rh(2) C(02) 105.9(1) yes C(2) Rh(2) C(02) 84.0(1) yes Rh(1) P(1) C(14) 103.7(1) yes Rh(1) P(1) C(21) 114.21(8) yes Rh(1) P(1) C(31) 125.7(1) yes C(14) P(1) C(21) 102.8(2) yes C(14) P(1) C(31) 103.1(1) yes C(21) P(1) C(31) 104.5(2) yes Rh(2) P(2) C(15) 104.19(10) yes Rh(2) P(2) C(41) 113.11(10) yes Rh(2) P(2) C(51) 122.9(1) yes C(15) P(2) C(41) 103.4(2) yes C(15) P(2) C(51) 107.3(1) yes C(41) P(2) C(51) 104.3(2) yes Rh(1) N(1) N(2) 122.9(2) yes Rh(1) N(1) C(11) 126.9(2) yes N(2) N(1) C(11) 108.3(2) yes Rh(2) N(2) N(1) 124.0(2) yes Rh(2) N(2) C(13) 125.5(2) yes N(1) N(2) C(13) 108.4(2) yes Rh(1) C(1) Rh(2) 110.5(1) yes Rh(1) C(1) C(2) 168.7(3) yes Rh(2) C(1) C(2) 77.5(2) yes Rh(1) C(01) O(01) 178.4(3) yes Rh(2) C(2) C(1) 73.0(2) yes Rh(2) C(2) C(3) 122.7(2) yes C(1) C(2) C(3) 164.3(3) yes Rh(2) C(02) O(02) 177.5(3) yes C(2) C(3) C(4) 120.5(3) yes C(2) C(3) C(8) 121.3(4) yes C(4) C(3) C(8) 118.2(3) yes C(3) C(4) C(5) 120.6(3) yes C(4) C(5) C(6) 121.5(4) yes C(5) C(6) C(7) 118.4(4) yes C(5) C(6) C(9) 121.5(4) yes C(7) C(6) C(9) 120.1(3) yes C(6) C(7) C(8) 120.7(3) yes C(3) C(8) C(7) 120.7(4) yes N(1) C(11) C(12) 109.1(2) yes N(1) C(11) C(14) 116.3(2) yes C(12) C(11) C(14) 134.6(3) yes C(11) C(12) C(13) 104.9(2) yes N(2) C(13) C(12) 109.3(2) yes N(2) C(13) C(15) 115.8(2) yes C(12) C(13) C(15) 134.7(3) yes P(1) C(14) C(11) 107.2(2) yes P(2) C(15) C(13) 103.9(2) yes P(1) C(21) C(22) 118.2(3) yes P(1) C(21) C(26) 121.8(2) yes C(22) C(21) C(26) 120.0(4) yes C(21) C(22) C(23) 119.2(3) yes C(22) C(23) C(24) 120.4(3) yes C(23) C(24) C(25) 120.2(5) yes C(24) C(25) C(26) 120.0(4) yes C(21) C(26) C(25) 120.0(3) yes P(1) C(31) C(32) 120.5(2) yes P(1) C(31) C(36) 119.7(2) yes C(32) C(31) C(36) 119.8(2) yes C(31) C(32) C(33) 121.0(4) yes C(32) C(33) C(34) 118.5(3) yes C(33) C(34) C(35) 121.0(3) yes C(34) C(35) C(36) 119.5(3) yes C(31) C(36) C(35) 120.1(3) yes P(2) C(41) C(42) 122.6(4) yes P(2) C(41) C(46) 118.3(3) yes C(42) C(41) C(46) 117.9(5) yes C(41) C(42) C(43) 121.0(5) yes C(42) C(43) C(44) 120.6(5) yes C(43) C(44) C(45) 120.1(8) yes C(44) C(45) C(46) 119.0(6) yes C(41) C(46) C(45) 119.9(4) yes P(2) C(51) C(52) 123.0(2) yes P(2) C(51) C(56) 117.6(2) yes C(52) C(51) C(56) 119.4(3) yes C(51) C(52) C(53) 120.1(3) yes C(52) C(53) C(54) 119.9(4) yes C(53) C(54) C(55) 120.0(3) yes C(54) C(55) C(56) 120.8(3) yes C(51) C(56) C(55) 119.9(3) yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Rh(1) P(1) 2.2768(8) yes Rh(1) N(1) 2.030(2) yes Rh(1) C(1) 2.061(3) yes Rh(1) C(01) 1.826(3) yes Rh(2) P(2) 2.2405(7) yes Rh(2) N(2) 2.066(2) yes Rh(2) C(1) 2.338(2) yes Rh(2) C(2) 2.388(3) yes Rh(2) C(02) 1.825(3) yes P(1) C(14) 1.860(3) yes P(1) C(21) 1.838(4) yes P(1) C(31) 1.828(2) yes P(2) C(15) 1.844(3) yes P(2) C(41) 1.831(5) yes P(2) C(51) 1.816(3) yes O(01) C(01) 1.145(5) yes O(02) C(02) 1.148(4) yes N(1) N(2) 1.360(3) yes N(1) C(11) 1.351(4) yes N(2) C(13) 1.349(4) yes C(1) C(2) 1.205(5) yes C(2) C(3) 1.448(5) yes C(3) C(4) 1.398(6) yes C(3) C(8) 1.402(4) yes C(4) C(5) 1.394(6) yes C(5) C(6) 1.381(4) yes C(6) C(7) 1.403(7) yes C(6) C(9) 1.508(7) yes C(7) C(8) 1.395(6) yes C(11) C(12) 1.397(4) yes C(11) C(14) 1.500(4) yes C(12) C(13) 1.390(4) yes C(13) C(15) 1.494(4) yes C(21) C(22) 1.390(4) yes C(21) C(26) 1.384(5) yes C(22) C(23) 1.408(7) yes C(23) C(24) 1.373(6) yes C(24) C(25) 1.378(5) yes C(25) C(26) 1.400(7) yes C(31) C(32) 1.372(5) yes C(31) C(36) 1.387(4) yes C(32) C(33) 1.405(4) yes C(33) C(34) 1.390(7) yes C(34) C(35) 1.379(5) yes C(35) C(36) 1.400(4) yes C(41) C(42) 1.362(6) yes C(41) C(46) 1.417(6) yes C(42) C(43) 1.40(1) yes C(43) C(44) 1.334(10) yes C(44) C(45) 1.404(8) yes C(45) C(46) 1.389(10) yes C(51) C(52) 1.377(5) yes C(51) C(56) 1.410(4) yes C(52) C(53) 1.403(4) yes C(53) C(54) 1.383(5) yes C(54) C(55) 1.376(6) yes C(55) C(56) 1.377(4) yes loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_2 O(01) C(54) 3.349(4) 1_454 O(01) C(7) 3.521(5) 2_555 O(02) C(23) 3.310(5) 2_556 O(02) C(24) 3.415(4) 2_556 O(02) C(55) 3.429(5) 2_656 O(02) C(25) 3.564(6) 1_655 N(2) C(15) 3.423(5) 2_566 C(01) C(35) 3.583(7) 2_465 C(5) C(26) 3.558(4) 1_655 C(7) C(43) 3.598(5) 1_554 C(45) C(46) 3.477(6) 2_556 _journal_paper_doi 10.1021/om049427v