#------------------------------------------------------------------------------ #$Date: 2016-02-16 20:30:59 +0000 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: svn://www.crystallography.net/cod/cif/4/07/57/4075771.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_4075771 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_paper_doi 10.1021/om049427v _journal_volume 24 _journal_year 2005 _chemical_formula_moiety 'C39 H30 N2 O2 P2 Rh2 ' _chemical_formula_sum 'C39 H30 N2 O2 P2 Rh2' _chemical_formula_weight 826.44 _space_group_IT_number 9 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90 _cell_angle_beta 97.387(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 22.568(1) _cell_length_b 8.5213(3) _cell_length_c 17.8092(5) _cell_measurement_reflns_used 9598 _cell_measurement_temperature 213.2 _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 1.2 _cell_volume 3396.4(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 28 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_number 13623 _diffrn_reflns_theta_max 27.48 _exptl_absorpt_coefficient_mu 1.102 _exptl_absorpt_correction_T_max 0.896 _exptl_absorpt_correction_T_min 0.752 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(Higashi, 1995)' _exptl_crystal_colour unknown _exptl_crystal_density_diffrn 1.616 _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 1.37 _refine_diff_density_min -0.81 _refine_ls_abs_structure_Flack 0.09(4) _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 0.734 _refine_ls_hydrogen_treatment noref _refine_ls_number_parameters 424 _refine_ls_number_reflns 3568 _refine_ls_R_factor_gt 0.0325 _refine_ls_shift/su_max -0.0040 _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 0.0978 _reflns_number_gt 3568 _reflns_number_total 3849 _reflns_threshold_expression >2.0sigma(I) _cod_data_source_file om049427vsi20040726_024341.cif _cod_data_source_block compound_2d _cod_original_formula_sum 'C39 H30 N2 O2 P2 Rh2 ' _cod_database_code 4075771 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,1/2+z 1/2+x,1/2+y,z 1/2+x,1/2-y,1/2+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 0.32038(1) 0.33192(4) 0.83325(2) 0.0294(1) Uani 1.00 d Rh(2) Rh 0.46154(2) 0.34156(4) 0.96301(2) 0.0294(1) Uani 1.00 d P(1) P 0.26361(8) 0.5096(2) 0.76351(8) 0.0282(3) Uani 1.00 d P(2) P 0.52241(7) 0.5272(2) 1.01534(8) 0.0280(3) Uani 1.00 d O(01) O 0.2449(3) 0.0661(6) 0.7690(3) 0.056(1) Uani 1.00 d O(02) O 0.5475(3) 0.0887(7) 1.0172(3) 0.056(1) Uani 1.00 d N(1) N 0.3657(2) 0.5293(5) 0.8692(3) 0.026(1) Uani 1.00 d N(2) N 0.4148(3) 0.5360(6) 0.9211(3) 0.032(1) Uani 1.00 d C(1) C 0.3735(3) 0.2112(6) 0.9199(3) 0.031(1) Uani 1.00 d C(01) C 0.2756(4) 0.1667(6) 0.7947(4) 0.034(1) Uani 1.00 d C(2) C 0.3890(3) 0.1622(6) 0.9858(4) 0.036(1) Uani 1.00 d C(02) C 0.5138(4) 0.1855(8) 0.9960(4) 0.038(1) Uani 1.00 d C(3) C 0.3914(3) 0.0841(7) 1.0578(3) 0.035(1) Uani 1.00 d C(4) C 0.3589(3) -0.0506(8) 1.0671(4) 0.043(1) Uani 1.00 d C(5) C 0.3579(4) -0.1202(9) 1.1360(5) 0.055(2) Uani 1.00 d C(6) C 0.3918(4) -0.0605(9) 1.2006(4) 0.052(2) Uani 1.00 d C(7) C 0.4256(4) 0.0740(9) 1.1934(4) 0.049(2) Uani 1.00 d C(8) C 0.4248(3) 0.1457(8) 1.1238(4) 0.043(1) Uani 1.00 d C(11) C 0.3508(4) 0.6790(6) 0.8462(3) 0.028(1) Uani 1.00 d C(12) C 0.3935(4) 0.7790(6) 0.8860(3) 0.032(1) Uani 1.00 d C(13) C 0.4319(3) 0.6861(7) 0.9303(3) 0.031(1) Uani 1.00 d C(14) C 0.3006(3) 0.7047(8) 0.7886(3) 0.037(1) Uani 1.00 d C(15) C 0.4867(3) 0.7171(8) 0.9856(4) 0.040(1) Uani 1.00 d C(21) C 0.2594(3) 0.4906(7) 0.6619(3) 0.034(1) Uani 1.00 d C(22) C 0.3067(3) 0.5376(8) 0.6237(4) 0.040(1) Uani 1.00 d C(23) C 0.3074(4) 0.5042(10) 0.5491(4) 0.053(2) Uani 1.00 d C(24) C 0.2602(4) 0.423(1) 0.5096(4) 0.059(2) Uani 1.00 d C(25) C 0.2123(5) 0.378(1) 0.5440(4) 0.067(2) Uani 1.00 d C(26) C 0.2116(4) 0.4106(10) 0.6206(3) 0.048(2) Uani 1.00 d C(31) C 0.1866(3) 0.5331(7) 0.7828(3) 0.036(1) Uani 1.00 d C(32) C 0.1491(4) 0.644(1) 0.7416(5) 0.060(3) Uani 1.00 d C(33) C 0.0903(5) 0.662(1) 0.7604(6) 0.072(3) Uani 1.00 d C(34) C 0.0705(4) 0.577(1) 0.8155(5) 0.062(2) Uani 1.00 d C(35) C 0.1076(4) 0.467(1) 0.8558(5) 0.062(2) Uani 1.00 d C(36) C 0.1656(3) 0.4468(8) 0.8381(4) 0.040(1) Uani 1.00 d C(41) C 0.5994(3) 0.5492(8) 0.9983(3) 0.035(1) Uani 1.00 d C(42) C 0.6361(4) 0.6628(9) 1.0358(4) 0.055(2) Uani 1.00 d C(43) C 0.6936(5) 0.679(1) 1.0204(6) 0.071(3) Uani 1.00 d C(44) C 0.7149(4) 0.585(1) 0.9646(6) 0.066(3) Uani 1.00 d C(45) C 0.6785(4) 0.4792(10) 0.9269(5) 0.054(2) Uani 1.00 d C(46) C 0.6199(3) 0.4578(8) 0.9421(4) 0.039(1) Uani 1.00 d C(51) C 0.5259(3) 0.5149(7) 1.1188(3) 0.039(1) Uani 1.00 d C(52) C 0.4760(4) 0.5625(9) 1.1517(4) 0.047(2) Uani 1.00 d C(53) C 0.4737(5) 0.530(1) 1.2275(5) 0.070(3) Uani 1.00 d C(54) C 0.5193(5) 0.451(1) 1.2700(4) 0.077(3) Uani 1.00 d C(55) C 0.5683(6) 0.402(1) 1.2361(5) 0.080(3) Uani 1.00 d C(56) C 0.5722(4) 0.4352(10) 1.1600(4) 0.053(2) Uani 1.00 d H(1) H 0.3357 -0.1000 1.0238 0.0516 Uiso 1.00 calc H(2) H 0.3333 -0.2100 1.1397 0.0692 Uiso 1.00 calc H(3) H 0.3919 -0.1104 1.2489 0.0655 Uiso 1.00 calc H(4) H 0.4500 0.1178 1.2365 0.0581 Uiso 1.00 calc H(5) H 0.4477 0.2398 1.1202 0.0509 Uiso 1.00 calc H(6) H 0.3942 0.8921 0.8820 0.0382 Uiso 1.00 calc H(7) H 0.3135 0.7511 0.7438 0.0465 Uiso 1.00 calc H(8) H 0.2725 0.7757 0.8064 0.0465 Uiso 1.00 calc H(9) H 0.4771 0.7714 1.0302 0.0479 Uiso 1.00 calc H(10) H 0.5150 0.7808 0.9636 0.0479 Uiso 1.00 calc H(11) H 0.3400 0.5926 0.6513 0.0475 Uiso 1.00 calc H(12) H 0.3400 0.5369 0.5245 0.0622 Uiso 1.00 calc H(13) H 0.2605 0.3961 0.4576 0.0751 Uiso 1.00 calc H(14) H 0.1777 0.3280 0.5158 0.0729 Uiso 1.00 calc H(15) H 0.1782 0.3776 0.6457 0.0593 Uiso 1.00 calc H(16) H 0.1629 0.7064 0.7020 0.0715 Uiso 1.00 calc H(17) H 0.0649 0.7399 0.7365 0.0783 Uiso 1.00 calc H(18) H 0.0302 0.5914 0.8247 0.0695 Uiso 1.00 calc H(19) H 0.0931 0.4112 0.8960 0.0744 Uiso 1.00 calc H(20) H 0.1912 0.3698 0.8650 0.0481 Uiso 1.00 calc H(21) H 0.6215 0.7307 1.0716 0.0658 Uiso 1.00 calc H(22) H 0.7188 0.7555 1.0474 0.0941 Uiso 1.00 calc H(23) H 0.7559 0.5961 0.9543 0.0758 Uiso 1.00 calc H(24) H 0.6920 0.4162 0.8867 0.0650 Uiso 1.00 calc H(25) H 0.5935 0.3832 0.9152 0.0477 Uiso 1.00 calc H(26) H 0.4434 0.6201 1.1214 0.0603 Uiso 1.00 calc H(27) H 0.4378 0.5634 1.2490 0.0879 Uiso 1.00 calc H(28) H 0.5179 0.4295 1.3224 0.0910 Uiso 1.00 calc H(29) H 0.5994 0.3433 1.2645 0.0986 Uiso 1.00 calc H(30) H 0.6066 0.4023 1.1370 0.0617 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) 0.0286(3) 0.0210(2) 0.0375(2) 0.0009(2) -0.0005(2) -0.0012(2) Rh(2) 0.0255(3) 0.0222(2) 0.0399(2) -0.0025(2) 0.0012(2) 0.0009(2) P(1) 0.0341(8) 0.0278(7) 0.0224(6) 0.0061(6) 0.0027(5) 0.0019(5) P(2) 0.0283(8) 0.0313(7) 0.0248(6) -0.0063(6) 0.0045(5) -0.0014(6) O(01) 0.066(4) 0.030(2) 0.069(3) -0.017(2) 0.002(3) -0.012(2) O(02) 0.043(3) 0.047(3) 0.078(4) 0.014(2) 0.007(3) 0.012(3) N(1) 0.024(3) 0.021(2) 0.031(2) 0.000(2) -0.002(2) 0.004(2) N(2) 0.034(3) 0.023(2) 0.037(3) -0.004(2) -0.001(2) 0.003(2) C(1) 0.028(3) 0.023(2) 0.040(3) -0.004(2) -0.011(2) 0.008(2) C(01) 0.037(4) 0.021(3) 0.044(3) -0.001(2) 0.005(3) 0.001(2) C(2) 0.033(3) 0.026(3) 0.049(3) -0.006(2) 0.006(2) -0.004(2) C(02) 0.030(4) 0.041(3) 0.044(4) -0.006(3) 0.005(3) 0.009(3) C(3) 0.027(3) 0.032(3) 0.046(3) 0.001(2) 0.004(2) -0.002(2) C(4) 0.041(4) 0.038(3) 0.052(3) -0.013(3) 0.013(3) -0.007(3) C(5) 0.059(5) 0.039(3) 0.071(5) -0.014(3) 0.020(4) 0.001(4) C(6) 0.060(5) 0.054(4) 0.044(3) -0.002(3) 0.016(3) 0.010(3) C(7) 0.043(4) 0.054(4) 0.050(4) -0.007(3) 0.005(3) -0.002(3) C(8) 0.041(4) 0.041(3) 0.046(3) -0.011(3) 0.006(3) -0.001(3) C(11) 0.047(4) 0.019(2) 0.021(2) -0.002(2) 0.009(2) -0.004(2) C(12) 0.045(3) 0.024(2) 0.029(3) -0.007(3) 0.008(2) 0.004(2) C(13) 0.042(4) 0.027(3) 0.026(3) -0.005(2) 0.009(2) -0.001(2) C(14) 0.054(4) 0.027(3) 0.029(3) 0.002(3) 0.005(2) 0.001(2) C(15) 0.047(4) 0.028(3) 0.046(3) -0.007(3) 0.012(3) -0.006(2) C(21) 0.037(3) 0.037(3) 0.029(2) 0.005(2) 0.009(2) 0.000(2) C(22) 0.032(3) 0.048(3) 0.039(3) 0.008(3) 0.009(2) 0.008(3) C(23) 0.046(4) 0.077(5) 0.041(3) 0.030(4) 0.022(3) 0.019(3) C(24) 0.070(5) 0.082(6) 0.026(3) 0.034(4) 0.008(3) -0.005(3) C(25) 0.079(7) 0.087(6) 0.035(3) 0.010(5) 0.004(4) -0.024(4) C(26) 0.047(4) 0.071(5) 0.027(3) -0.010(3) 0.005(2) -0.016(3) C(31) 0.042(4) 0.038(3) 0.028(2) 0.013(3) 0.005(2) -0.001(2) C(32) 0.056(5) 0.082(6) 0.045(4) 0.036(4) 0.015(4) 0.015(4) C(33) 0.057(6) 0.099(8) 0.058(5) 0.046(5) -0.005(4) 0.007(4) C(34) 0.040(5) 0.080(6) 0.066(5) 0.020(4) 0.009(4) -0.021(5) C(35) 0.051(5) 0.075(5) 0.065(5) -0.004(4) 0.026(4) -0.006(4) C(36) 0.038(4) 0.043(3) 0.040(3) 0.007(3) 0.006(3) -0.002(3) C(41) 0.027(3) 0.044(3) 0.033(2) -0.007(2) -0.001(2) 0.005(2) C(42) 0.053(5) 0.072(6) 0.040(4) -0.032(4) 0.008(3) -0.011(3) C(43) 0.047(6) 0.098(8) 0.066(6) -0.040(5) -0.001(4) 0.006(5) C(44) 0.028(4) 0.092(7) 0.080(5) -0.004(4) 0.012(4) 0.040(5) C(45) 0.037(4) 0.062(5) 0.065(5) 0.007(3) 0.016(3) 0.014(4) C(46) 0.037(4) 0.046(3) 0.036(3) 0.000(3) 0.010(2) 0.004(3) C(51) 0.042(4) 0.040(3) 0.035(3) -0.017(3) 0.007(2) -0.007(2) C(52) 0.050(4) 0.061(4) 0.033(3) -0.025(3) 0.014(3) -0.016(3) C(53) 0.079(7) 0.088(6) 0.049(4) -0.050(5) 0.037(4) -0.028(4) C(54) 0.119(9) 0.094(7) 0.024(3) -0.050(6) 0.027(4) -0.004(4) C(55) 0.096(8) 0.099(7) 0.040(4) -0.004(6) -0.012(4) 0.019(5) C(56) 0.071(5) 0.056(4) 0.034(3) -0.001(4) 0.012(3) 0.006(3) 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) ; 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) ; 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) 81.0(1) yes P(1) Rh(1) C(1) 165.2(2) yes P(1) Rh(1) C(01) 93.6(2) yes N(1) Rh(1) C(1) 87.6(2) yes N(1) Rh(1) C(01) 174.6(2) yes C(1) Rh(1) C(01) 97.8(3) yes P(2) Rh(2) N(2) 80.7(2) yes P(2) Rh(2) C(1) 159.7(1) yes P(2) Rh(2) C(2) 144.2(2) yes P(2) Rh(2) C(02) 92.6(2) yes N(2) Rh(2) C(1) 83.6(2) yes N(2) Rh(2) C(2) 104.8(2) yes N(2) Rh(2) C(02) 170.6(3) yes C(1) Rh(2) C(2) 31.4(2) yes C(1) Rh(2) C(02) 104.4(3) yes C(2) Rh(2) C(02) 84.5(3) yes Rh(1) P(1) C(14) 105.0(2) yes Rh(1) P(1) C(21) 116.4(2) yes Rh(1) P(1) C(31) 117.3(2) yes C(14) P(1) C(21) 106.3(3) yes C(14) P(1) C(31) 105.2(3) yes C(21) P(1) C(31) 105.6(3) yes Rh(2) P(2) C(15) 106.2(2) yes Rh(2) P(2) C(41) 123.9(2) yes Rh(2) P(2) C(51) 109.0(2) yes C(15) P(2) C(41) 104.6(3) yes C(15) P(2) C(51) 107.3(3) yes C(41) P(2) C(51) 104.8(3) yes Rh(1) N(1) N(2) 125.9(4) yes Rh(1) N(1) C(11) 125.7(4) yes N(2) N(1) C(11) 108.3(5) yes Rh(2) N(2) N(1) 123.6(4) yes Rh(2) N(2) C(13) 126.9(5) yes N(1) N(2) C(13) 108.8(5) yes Rh(1) C(1) Rh(2) 113.1(2) yes Rh(1) C(1) C(2) 156.5(5) yes Rh(2) C(1) C(2) 74.0(4) yes Rh(1) C(01) O(01) 176.8(6) yes Rh(2) C(2) C(1) 74.6(4) yes Rh(2) C(2) C(3) 121.0(4) yes C(1) C(2) C(3) 164.3(6) yes Rh(2) C(02) O(02) 178.9(7) yes C(2) C(3) C(4) 122.1(5) yes C(2) C(3) C(8) 121.6(5) yes C(4) C(3) C(8) 116.3(6) yes C(3) C(4) C(5) 122.6(6) yes C(4) C(5) C(6) 120.8(7) yes C(5) C(6) C(7) 118.3(7) yes C(6) C(7) C(8) 120.2(6) yes C(3) C(8) C(7) 121.7(6) yes N(1) C(11) C(12) 106.7(5) yes N(1) C(11) C(14) 119.6(5) yes C(12) C(11) C(14) 133.6(5) yes C(11) C(12) C(13) 106.6(5) yes N(2) C(13) C(12) 109.6(6) yes N(2) C(13) C(15) 116.6(6) yes C(12) C(13) C(15) 133.8(6) yes P(1) C(14) C(11) 108.5(4) yes P(2) C(15) C(13) 109.0(5) yes P(1) C(21) C(22) 121.0(5) yes P(1) C(21) C(26) 120.5(5) yes C(22) C(21) C(26) 118.0(5) yes C(21) C(22) C(23) 121.3(6) yes C(22) C(23) C(24) 119.8(7) yes C(23) C(24) C(25) 120.9(7) yes C(24) C(25) C(26) 119.7(8) yes C(21) C(26) C(25) 120.3(8) yes P(1) C(31) C(32) 119.9(6) yes P(1) C(31) C(36) 120.3(5) yes C(32) C(31) C(36) 119.8(7) yes C(31) C(32) C(33) 117.9(8) yes C(32) C(33) C(34) 121.5(9) yes C(33) C(34) C(35) 120.4(9) yes C(34) C(35) C(36) 119.1(8) yes C(31) C(36) C(35) 121.3(7) yes P(2) C(41) C(42) 121.1(6) yes P(2) C(41) C(46) 118.4(5) yes C(42) C(41) C(46) 120.2(7) yes C(41) C(42) C(43) 119.7(8) yes C(42) C(43) C(44) 120.2(9) yes C(43) C(44) C(45) 119.6(9) yes C(44) C(45) C(46) 121.7(8) yes C(41) C(46) C(45) 118.4(6) yes P(2) C(51) C(52) 118.2(5) yes P(2) C(51) C(56) 119.6(5) yes C(52) C(51) C(56) 121.2(6) yes C(51) C(52) C(53) 119.1(7) yes C(52) C(53) C(54) 121.0(9) yes C(53) C(54) C(55) 119.3(8) yes C(54) C(55) C(56) 120.9(9) yes C(51) C(56) C(55) 118.5(9) 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) 2.251(2) yes Rh(1) N(1) 2.029(5) yes Rh(1) C(1) 2.098(5) yes Rh(1) C(01) 1.815(6) yes Rh(2) P(2) 2.220(2) yes Rh(2) N(2) 2.052(5) yes Rh(2) C(1) 2.319(5) yes Rh(2) C(2) 2.313(6) yes Rh(2) C(02) 1.824(7) yes P(1) C(14) 1.887(7) yes P(1) C(21) 1.808(6) yes P(1) C(31) 1.826(7) yes P(2) C(15) 1.854(7) yes P(2) C(41) 1.812(7) yes P(2) C(51) 1.837(6) yes O(01) C(01) 1.159(8) yes O(02) C(02) 1.153(9) yes N(1) N(2) 1.350(7) yes N(1) C(11) 1.368(7) yes N(2) C(13) 1.340(8) yes C(1) C(2) 1.252(8) yes C(2) C(3) 1.440(9) yes C(3) C(4) 1.383(9) yes C(3) C(8) 1.414(9) yes C(4) C(5) 1.36(1) yes C(5) C(6) 1.39(1) yes C(6) C(7) 1.39(1) yes C(7) C(8) 1.38(1) yes C(11) C(12) 1.408(9) yes C(11) C(14) 1.444(9) yes C(12) C(13) 1.351(9) yes C(13) C(15) 1.503(10) yes C(21) C(22) 1.398(10) yes C(21) C(26) 1.401(9) yes C(22) C(23) 1.361(10) yes C(23) C(24) 1.38(1) yes C(24) C(25) 1.36(1) yes C(25) C(26) 1.39(1) yes C(31) C(32) 1.41(1) yes C(31) C(36) 1.362(10) yes C(32) C(33) 1.42(2) yes C(33) C(34) 1.34(1) yes C(34) C(35) 1.39(1) yes C(35) C(36) 1.40(1) yes C(41) C(42) 1.39(1) yes C(41) C(46) 1.393(9) yes C(42) C(43) 1.37(2) yes C(43) C(44) 1.41(2) yes C(44) C(45) 1.34(1) yes C(45) C(46) 1.39(1) yes C(51) C(52) 1.39(1) yes C(51) C(56) 1.38(1) yes C(52) C(53) 1.39(1) yes C(53) C(54) 1.37(1) yes C(54) C(55) 1.39(2) yes C(55) C(56) 1.40(1) 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(14) 3.327(9) 1_545 O(01) C(45) 3.43(1) 3_445 O(02) C(15) 3.468(9) 1_545 O(02) C(35) 3.49(1) 3_545 N(2) C(23) 3.55(1) 2_565 C(01) C(6) 3.41(1) 2_554 C(01) C(44) 3.55(1) 3_445 C(01) C(5) 3.60(1) 2_554