# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/1968 data_General _audit_creation_date 'Wed Oct 13 12:57:31 1999' _audit_creation_method 'by teXsan' _audit_update_record ? #------------------------------------------------------------------------------ # PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_coeditor_code ? #------------------------------------------------------------------------------ # SUBMISSION DETAILS _publ_contact_author_name ' ENTER NAME' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_author_email ' ENTER EMAIL ADDRESS ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? #------------------------------------------------------------------------------ # TITLE AND AUTHOR LIST _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_author_name _publ_author_footnote _publ_author_address ' FIRST AUTHORS NAME ' ; FIRST AUTHORS FOOTNOTES ; ; FIRST AUTHORS ADDRESS ; _publ_section_synopsis ; ENTER SYNOPSIS ; #------------------------------------------------------------------------------ # TEXT _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1999). teXsan. Single Crystal Structure Analysis Software. Version 1.10. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. North, A.C.T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359. ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; #------------------------------------------------------------------------------ data_[Rh2(Cp*)2(mpol)2].3H2O #------------------------------------------------------------------------------ # CHEMICAL DATA _chemical_formula_sum 'C30 H42 N2 O5 S2 Rh2 ' _chemical_formula_moiety '?' _chemical_formula_weight 780.60 _chemical_melting_point ? #------------------------------------------------------------------------------ # CRYSTAL DATA _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1 ' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z _cell_length_a 11.101(6) _cell_length_b 16.935(7) _cell_length_c 9.974(4) _cell_angle_alpha 95.32(4) _cell_angle_beta 110.15(4) _cell_angle_gamma 107.24(3) _cell_volume 1641(1) _cell_formula_units_Z 2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 14.9 _cell_measurement_theta_max 15.0 _cell_measurement_temperature 296.2 #------------------------------------------------------------------------------ _exptl_crystal_description 'prismatic' _exptl_crystal_colour 'red' _exptl_crystal_size_max 0.400 _exptl_crystal_size_mid 0.300 _exptl_crystal_size_min 0.250 _exptl_crystal_size_rad ? _exptl_crystal_density_diffrn 1.580 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_absorpt_coefficient_mu 1.170 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_process_details '(North, Phillips & Mathews, 1968)' _exptl_absorpt_correction_T_min 0.879 _exptl_absorpt_correction_T_max 1.000 #------------------------------------------------------------------------------ # EXPERIMENTAL DATA _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_measurement_device_type 'Rigaku AFC7R' _diffrn_measurement_method \w-2\q _diffrn_reflns_number 9882 _diffrn_reflns_av_R_equivalents 0.053 _diffrn_reflns_theta_max 30.00 _diffrn_measured_fraction_theta_max 1.0009 _diffrn_reflns_theta_full 30.00 _diffrn_measured_fraction_theta_full 1.0009 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 0 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 14 _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 0.68 #------------------------------------------------------------------------------ # REFINEMENT DATA _refine_special_details ; Refinement using reflections with F^2^ > 3.0 sigma(F^2^). The weighted R-factor (wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero for negative F. The threshold expression of F^2^ > 3.0 sigma(F^2^) is used only for calculating R-factor (gt). ; _reflns_number_total 3188 _reflns_number_gt 8036 _reflns_threshold_expression F^2^>3.0\s(F^2^) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0328 _refine_ls_wR_factor_ref 0.0512 _refine_ls_hydrogen_treatment noref _refine_ls_number_reflns 8036 _refine_ls_number_parameters 370 _refine_ls_goodness_of_fit_ref 2.358 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]' _refine_ls_shift/su_max 0.0062 _refine_diff_density_max 1.31 _refine_diff_density_min -1.26 _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? 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 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; 'N' 'N' 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'S' 'S' 0.125 0.123 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'Rh' 'Rh' -1.118 0.919 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #------------------------------------------------------------------------------ # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS 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 _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh(1) Rh 0.14265(2) 0.53756(1) 0.45123(2) 0.02919(6) Uani 1.00 d . . . Rh(2) Rh 0.66004(2) 0.02826(1) -0.01490(3) 0.03143(6) Uani 1.00 d . . . S(1) S -0.09422(7) 0.45783(5) 0.33224(7) 0.0314(2) Uani 1.00 d . . . S(2) S 0.43574(7) 0.02243(5) -0.15690(8) 0.0330(2) Uani 1.00 d . . . O(1) O 0.0726(2) 0.6394(1) 0.4287(2) 0.0404(6) Uani 1.00 d . . . O(2) O 0.6744(2) 0.1468(1) 0.0884(3) 0.0430(6) Uani 1.00 d . . . O(11) O 0.1757(4) 0.0825(3) 0.5043(4) 0.092(1) Uani 1.00 d . . . O(12) O 0.9356(4) 0.0958(3) 0.5314(5) 0.099(1) Uani 1.00 d . . . O(13) O 0.8054(8) 0.1982(3) 0.3897(5) 0.213(3) Uani 1.00 d . . . N(1) N -0.2558(3) 0.5189(2) 0.1366(3) 0.0471(8) Uani 1.00 d . . . N(2) N 0.4002(3) 0.1665(2) -0.2174(3) 0.0462(8) Uani 1.00 d . . . C(1) C -0.1375(3) 0.5400(2) 0.2507(3) 0.0357(7) Uani 1.00 d . . . C(2) C -0.0442(3) 0.6231(2) 0.3159(3) 0.0364(8) Uani 1.00 d . . . C(3) C -0.0821(4) 0.6877(3) 0.2530(4) 0.052(1) Uani 1.00 d . . . C(4) C -0.2043(5) 0.6654(3) 0.1333(5) 0.060(1) Uani 1.00 d . . . C(5) C -0.2874(4) 0.5817(3) 0.0779(4) 0.060(1) Uani 1.00 d . . . C(6) C 0.2357(3) 0.5495(2) 0.2933(3) 0.0401(8) Uani 1.00 d . . . C(7) C 0.2073(4) 0.4662(2) 0.3157(4) 0.0450(9) Uani 1.00 d . . . C(8) C 0.2826(4) 0.4705(3) 0.4677(4) 0.050(1) Uani 1.00 d . . . C(9) C 0.3617(3) 0.5570(3) 0.5363(4) 0.051(1) Uani 1.00 d . . . C(10) C 0.3338(3) 0.6059(2) 0.4306(4) 0.0435(8) Uani 1.00 d . . . C(11) C 0.1784(4) 0.5762(3) 0.1525(4) 0.057(1) Uani 1.00 d . . . C(12) C 0.1160(5) 0.3866(3) 0.2019(6) 0.071(1) Uani 1.00 d . . . C(13) C 0.2890(6) 0.3941(4) 0.5340(7) 0.089(2) Uani 1.00 d . . . C(14) C 0.4623(4) 0.5902(4) 0.6934(5) 0.081(2) Uani 1.00 d . . . C(15) C 0.3905(5) 0.7005(3) 0.4537(6) 0.071(1) Uani 1.00 d . . . C(21) C 0.4792(3) 0.1337(2) -0.1232(4) 0.0364(7) Uani 1.00 d . . . C(22) C 0.5977(3) 0.1831(2) 0.0036(4) 0.0386(8) Uani 1.00 d . . . C(23) C 0.6245(4) 0.2702(2) 0.0312(5) 0.052(1) Uani 1.00 d . . . C(24) C 0.5401(5) 0.3035(2) -0.0652(6) 0.061(1) Uani 1.00 d . . . C(25) C 0.4323(4) 0.2516(3) -0.1866(5) 0.058(1) Uani 1.00 d . . . C(26) C 0.7915(6) 0.0692(4) -0.1272(7) 0.085(2) Uani 1.00 d . . . C(27) C 0.7014(4) -0.0161(3) -0.1991(4) 0.060(1) Uani 1.00 d . . . C(28) C 0.7255(4) -0.0664(2) -0.0965(4) 0.0444(9) Uani 1.00 d . . . C(29) C 0.8343(3) -0.0158(3) 0.0362(4) 0.050(1) Uani 1.00 d . . . C(30) C 0.8737(4) 0.0668(3) 0.0184(6) 0.071(1) Uani 1.00 d . . . C(31) C 0.795(1) 0.1420(6) -0.203(1) 0.192(5) Uani 1.00 d . . . C(32) C 0.6002(7) -0.0463(6) -0.3552(6) 0.125(3) Uani 1.00 d . . . C(33) C 0.6584(5) -0.1612(3) -0.1326(6) 0.075(2) Uani 1.00 d . . . C(34) C 0.8951(5) -0.0480(4) 0.1690(5) 0.079(2) Uani 1.00 d . . . C(35) C 0.9833(6) 0.1416(5) 0.136(1) 0.174(3) Uani 1.00 d . . . H(1) H -0.0247 0.7454 0.2922 0.0624 Uiso 1.00 calc . . . H(2) H -0.2312 0.7080 0.0890 0.0717 Uiso 1.00 calc . . . H(3) H -0.3704 0.5679 -0.0054 0.0722 Uiso 1.00 calc . . . H(4) H 0.2144 0.6362 0.1683 0.0683 Uiso 1.00 calc . . . H(5) H 0.2033 0.5517 0.0812 0.0683 Uiso 1.00 calc . . . H(6) H 0.0814 0.5576 0.1190 0.0683 Uiso 1.00 calc . . . H(7) H 0.0255 0.3875 0.1618 0.0847 Uiso 1.00 calc . . . H(8) H 0.1491 0.3829 0.1264 0.0847 Uiso 1.00 calc . . . H(9) H 0.1154 0.3390 0.2454 0.0847 Uiso 1.00 calc . . . H(10) H 0.1991 0.3590 0.5193 0.1068 Uiso 1.00 calc . . . H(11) H 0.3282 0.3629 0.4884 0.1068 Uiso 1.00 calc . . . H(12) H 0.3438 0.4124 0.6359 0.1068 Uiso 1.00 calc . . . H(13) H 0.4626 0.5444 0.7416 0.0975 Uiso 1.00 calc . . . H(14) H 0.5514 0.6178 0.6962 0.0975 Uiso 1.00 calc . . . H(15) H 0.4361 0.6293 0.7412 0.0975 Uiso 1.00 calc . . . H(16) H 0.4539 0.7240 0.5521 0.0848 Uiso 1.00 calc . . . H(17) H 0.4357 0.7153 0.3895 0.0848 Uiso 1.00 calc . . . H(18) H 0.3178 0.7220 0.4341 0.0848 Uiso 1.00 calc . . . H(19) H 0.7002 0.3064 0.1156 0.0629 Uiso 1.00 calc . . . H(20) H 0.5574 0.3626 -0.0466 0.0731 Uiso 1.00 calc . . . H(21) H 0.3772 0.2761 -0.2525 0.0690 Uiso 1.00 calc . . . H(22) H 0.8610 0.1927 -0.1366 0.2300 Uiso 1.00 calc . . . H(23) H 0.8177 0.1318 -0.2845 0.2300 Uiso 1.00 calc . . . H(24) H 0.7069 0.1475 -0.2354 0.2300 Uiso 1.00 calc . . . H(25) H 0.5103 -0.0703 -0.3575 0.1498 Uiso 1.00 calc . . . H(26) H 0.6051 0.0002 -0.4022 0.1498 Uiso 1.00 calc . . . H(27) H 0.6210 -0.0879 -0.4045 0.1498 Uiso 1.00 calc . . . H(28) H 0.5617 -0.1759 -0.1679 0.0903 Uiso 1.00 calc . . . H(29) H 0.6819 -0.1851 -0.2056 0.0903 Uiso 1.00 calc . . . H(30) H 0.6891 -0.1825 -0.0471 0.0903 Uiso 1.00 calc . . . H(31) H 0.8264 -0.0729 0.2040 0.0947 Uiso 1.00 calc . . . H(32) H 0.9306 -0.0893 0.1442 0.0947 Uiso 1.00 calc . . . H(33) H 0.9670 -0.0023 0.2430 0.0947 Uiso 1.00 calc . . . H(34) H 1.0678 0.1319 0.1670 0.2084 Uiso 1.00 calc . . . H(35) H 0.9933 0.1913 0.0972 0.2084 Uiso 1.00 calc . . . H(36) H 0.9577 0.1485 0.2163 0.2084 Uiso 1.00 calc . . . H(51) H 0.2498 0.1121 0.5663 0.1014 Uiso 1.00 calc . . . H(52) H 0.1365 0.0905 0.5245 0.1431 Uiso 1.00 calc . . . H(53) H 0.8872 0.1154 0.4885 0.0749 Uiso 1.00 calc . . . H(54) H 0.8903 0.0523 0.5128 0.1032 Uiso 1.00 calc . . . H(55) H 0.7534 0.1912 0.2994 0.1173 Uiso 1.00 calc . . . H(56) H 0.8325 0.2603 0.4375 0.0553 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) 0.0272(1) 0.0341(1) 0.0270(1) 0.01110(9) 0.01107(8) 0.00734(8) Rh(2) 0.0242(1) 0.0326(1) 0.0377(1) 0.01005(9) 0.01238(9) 0.00757(9) S(1) 0.0296(3) 0.0354(4) 0.0267(3) 0.0105(3) 0.0097(2) 0.0042(3) S(2) 0.0275(3) 0.0355(4) 0.0339(3) 0.0107(3) 0.0103(3) 0.0062(3) O(1) 0.041(1) 0.035(1) 0.042(1) 0.0155(9) 0.0115(9) 0.0084(9) O(2) 0.037(1) 0.037(1) 0.045(1) 0.0113(9) 0.0076(9) 0.0014(10) O(11) 0.072(2) 0.122(3) 0.068(2) 0.040(2) 0.010(2) 0.006(2) O(12) 0.092(3) 0.093(3) 0.098(3) 0.051(2) 0.008(2) 0.016(2) O(13) 0.374(9) 0.095(3) 0.073(3) 0.139(5) -0.059(4) -0.032(2) N(1) 0.041(1) 0.071(2) 0.030(1) 0.026(1) 0.008(1) 0.013(1) N(2) 0.044(2) 0.055(2) 0.054(2) 0.027(1) 0.024(1) 0.025(1) C(1) 0.035(1) 0.049(2) 0.028(1) 0.019(1) 0.014(1) 0.012(1) C(2) 0.040(2) 0.043(2) 0.036(1) 0.021(1) 0.020(1) 0.014(1) C(3) 0.063(2) 0.058(2) 0.058(2) 0.034(2) 0.035(2) 0.033(2) C(4) 0.070(3) 0.083(3) 0.058(2) 0.052(2) 0.034(2) 0.044(2) C(5) 0.056(2) 0.099(4) 0.039(2) 0.043(2) 0.017(2) 0.031(2) C(6) 0.034(1) 0.056(2) 0.033(1) 0.014(1) 0.018(1) 0.010(1) C(7) 0.045(2) 0.051(2) 0.050(2) 0.021(2) 0.030(2) 0.008(2) C(8) 0.055(2) 0.071(3) 0.054(2) 0.040(2) 0.036(2) 0.029(2) C(9) 0.028(1) 0.091(3) 0.037(2) 0.023(2) 0.016(1) 0.017(2) C(10) 0.032(1) 0.054(2) 0.039(2) 0.007(1) 0.017(1) 0.006(1) C(11) 0.061(2) 0.074(3) 0.041(2) 0.020(2) 0.025(2) 0.022(2) C(12) 0.079(3) 0.057(3) 0.085(3) 0.020(2) 0.052(3) -0.001(2) C(13) 0.126(5) 0.117(4) 0.118(4) 0.101(4) 0.093(4) 0.085(4) C(14) 0.043(2) 0.153(5) 0.040(2) 0.030(3) 0.011(2) 0.021(3) C(15) 0.060(3) 0.059(3) 0.077(3) -0.006(2) 0.034(2) 0.001(2) C(21) 0.034(1) 0.037(2) 0.044(2) 0.014(1) 0.018(1) 0.013(1) C(22) 0.037(1) 0.035(2) 0.049(2) 0.015(1) 0.021(1) 0.009(1) C(23) 0.045(2) 0.032(2) 0.081(3) 0.007(1) 0.031(2) 0.006(2) C(24) 0.066(3) 0.041(2) 0.101(3) 0.025(2) 0.054(3) 0.030(2) C(25) 0.064(2) 0.057(2) 0.081(3) 0.039(2) 0.042(2) 0.041(2) C(26) 0.097(4) 0.093(4) 0.151(5) 0.066(3) 0.107(4) 0.083(4) C(27) 0.057(2) 0.099(4) 0.049(2) 0.047(2) 0.032(2) 0.028(2) C(28) 0.042(2) 0.051(2) 0.048(2) 0.021(2) 0.024(1) 0.008(2) C(29) 0.035(2) 0.071(3) 0.053(2) 0.029(2) 0.019(1) 0.011(2) C(30) 0.031(2) 0.063(3) 0.112(4) 0.009(2) 0.034(2) -0.009(3) C(31) 0.25(1) 0.175(8) 0.39(1) 0.165(8) 0.28(1) 0.224(10) C(32) 0.122(5) 0.251(10) 0.042(2) 0.119(6) 0.034(3) 0.031(4) C(33) 0.075(3) 0.051(2) 0.113(4) 0.020(2) 0.058(3) 0.001(3) C(34) 0.061(3) 0.138(5) 0.057(3) 0.064(3) 0.020(2) 0.028(3) C(35) 0.060(3) 0.100(5) 0.30(1) -0.036(3) 0.088(5) -0.101(6) #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan Ver. 1.10' _computing_structure_solution SHELXS86 _computing_structure_refinement 'teXsan Ver. 1.10' _computing_publication_material 'teXsan Ver. 1.10' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh(1) S(1) 2.365(1) . . yes Rh(1) S(1) 2.3986(7) . 2_566 yes Rh(1) O(1) 2.093(2) . . yes Rh(1) C(6) 2.156(3) . . yes Rh(1) C(7) 2.164(3) . . yes Rh(1) C(8) 2.153(3) . . yes Rh(1) C(9) 2.190(3) . . yes Rh(1) C(10) 2.185(3) . . yes Rh(2) S(2) 2.369(1) . . yes Rh(2) S(2) 2.4064(8) . 2_655 yes Rh(2) O(2) 2.105(2) . . yes Rh(2) C(26) 2.130(4) . . yes Rh(2) C(27) 2.163(4) . . yes Rh(2) C(28) 2.149(3) . . yes Rh(2) C(29) 2.192(3) . . yes Rh(2) C(30) 2.160(4) . . yes S(1) C(1) 1.778(3) . . yes S(2) C(21) 1.769(3) . . yes O(1) C(2) 1.322(4) . . yes O(2) C(22) 1.315(4) . . yes N(1) C(1) 1.329(4) . . yes N(1) C(5) 1.338(5) . . yes N(2) C(21) 1.334(4) . . yes N(2) C(25) 1.354(5) . . yes C(1) C(2) 1.407(5) . . yes C(2) C(3) 1.408(4) . . yes C(3) C(4) 1.381(6) . . yes C(4) C(5) 1.376(7) . . yes C(6) C(7) 1.408(5) . . yes C(6) C(10) 1.445(5) . . yes C(6) C(11) 1.501(5) . . yes C(7) C(8) 1.440(5) . . yes C(7) C(12) 1.499(6) . . yes C(8) C(9) 1.422(6) . . yes C(8) C(13) 1.516(6) . . yes C(9) C(10) 1.408(5) . . yes C(9) C(14) 1.509(5) . . yes C(10) C(15) 1.500(6) . . yes C(21) C(22) 1.426(5) . . yes C(22) C(23) 1.396(4) . . yes C(23) C(24) 1.382(6) . . yes C(24) C(25) 1.361(7) . . yes C(26) C(27) 1.435(8) . . yes C(26) C(30) 1.437(8) . . yes C(26) C(31) 1.501(7) . . yes C(27) C(28) 1.398(5) . . yes C(27) C(32) 1.501(7) . . yes C(28) C(29) 1.421(5) . . yes C(28) C(33) 1.503(6) . . yes C(29) C(30) 1.384(6) . . yes C(29) C(34) 1.499(6) . . yes C(30) C(35) 1.511(8) . . yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag S(1) Rh(1) S(1) 83.87(3) . 1_555 2_566 yes S(1) Rh(1) O(1) 82.37(7) . 1_555 1_555 yes S(1) Rh(1) C(6) 109.81(9) . 1_555 1_555 yes S(1) Rh(1) C(7) 96.0(1) . 1_555 1_555 yes S(1) Rh(1) C(8) 117.2(1) . 1_555 1_555 yes S(1) Rh(1) C(9) 155.4(1) . 1_555 1_555 yes S(1) Rh(1) C(10) 147.62(9) . 1_555 1_555 yes S(1) Rh(1) O(1) 83.68(7) . 2_566 1_555 yes S(1) Rh(1) C(6) 166.31(9) . 2_566 1_555 yes S(1) Rh(1) C(7) 142.9(1) . 2_566 1_555 yes S(1) Rh(1) C(8) 109.04(9) . 2_566 1_555 yes S(1) Rh(1) C(9) 102.95(9) . 2_566 1_555 yes S(1) Rh(1) C(10) 127.73(9) . 2_566 1_555 yes O(1) Rh(1) C(6) 98.5(1) . 1_555 1_555 yes O(1) Rh(1) C(7) 133.2(1) . 1_555 1_555 yes O(1) Rh(1) C(8) 157.0(1) . 1_555 1_555 yes O(1) Rh(1) C(9) 121.5(1) . 1_555 1_555 yes O(1) Rh(1) C(10) 93.3(1) . 1_555 1_555 yes C(6) Rh(1) C(7) 38.1(1) . 1_555 1_555 yes C(6) Rh(1) C(8) 64.7(1) . 1_555 1_555 yes C(6) Rh(1) C(9) 64.3(1) . 1_555 1_555 yes C(6) Rh(1) C(10) 38.9(1) . 1_555 1_555 yes C(7) Rh(1) C(8) 39.0(1) . 1_555 1_555 yes C(7) Rh(1) C(9) 64.2(1) . 1_555 1_555 yes C(7) Rh(1) C(10) 63.9(1) . 1_555 1_555 yes C(8) Rh(1) C(9) 38.2(2) . 1_555 1_555 yes C(8) Rh(1) C(10) 63.7(1) . 1_555 1_555 yes C(9) Rh(1) C(10) 37.5(1) . 1_555 1_555 yes S(2) Rh(2) S(2) 85.02(4) . 1_555 2_655 yes S(2) Rh(2) O(2) 82.32(6) . 1_555 1_555 yes S(2) Rh(2) C(26) 110.0(2) . 1_555 1_555 yes S(2) Rh(2) C(27) 95.3(1) . 1_555 1_555 yes S(2) Rh(2) C(28) 115.9(1) . 1_555 1_555 yes S(2) Rh(2) C(29) 154.1(1) . 1_555 1_555 yes S(2) Rh(2) C(30) 148.4(2) . 1_555 1_555 yes S(2) Rh(2) O(2) 83.28(7) . 2_655 1_555 yes S(2) Rh(2) C(26) 164.9(2) . 2_655 1_555 yes S(2) Rh(2) C(27) 141.7(1) . 2_655 1_555 yes S(2) Rh(2) C(28) 108.61(10) . 2_655 1_555 yes S(2) Rh(2) C(29) 101.8(1) . 2_655 1_555 yes S(2) Rh(2) C(30) 126.1(2) . 2_655 1_555 yes O(2) Rh(2) C(26) 99.6(2) . 1_555 1_555 yes O(2) Rh(2) C(27) 134.9(2) . 1_555 1_555 yes O(2) Rh(2) C(28) 158.4(1) . 1_555 1_555 yes O(2) Rh(2) C(29) 123.1(1) . 1_555 1_555 yes O(2) Rh(2) C(30) 95.0(1) . 1_555 1_555 yes C(26) Rh(2) C(27) 39.0(2) . 1_555 1_555 yes C(26) Rh(2) C(28) 64.4(2) . 1_555 1_555 yes C(26) Rh(2) C(29) 64.1(2) . 1_555 1_555 yes C(26) Rh(2) C(30) 39.1(2) . 1_555 1_555 yes C(27) Rh(2) C(28) 37.8(1) . 1_555 1_555 yes C(27) Rh(2) C(29) 63.8(1) . 1_555 1_555 yes C(27) Rh(2) C(30) 64.5(2) . 1_555 1_555 yes C(28) Rh(2) C(29) 38.2(1) . 1_555 1_555 yes C(28) Rh(2) C(30) 63.4(2) . 1_555 1_555 yes C(29) Rh(2) C(30) 37.1(2) . 1_555 1_555 yes Rh(1) S(1) Rh(1) 96.13(3) . 1_555 2_566 yes Rh(1) S(1) C(1) 94.9(1) . 1_555 1_555 yes Rh(1) S(1) C(1) 106.65(10) . 2_566 1_555 yes Rh(2) S(2) Rh(2) 94.98(4) . 1_555 2_655 yes Rh(2) S(2) C(21) 94.3(1) . 1_555 1_555 yes Rh(2) S(2) C(21) 107.4(1) . 2_655 1_555 yes Rh(1) O(1) C(2) 114.7(2) . 1_555 1_555 yes Rh(2) O(2) C(22) 114.6(2) . 1_555 1_555 yes C(1) N(1) C(5) 117.3(3) . 1_555 1_555 yes C(21) N(2) C(25) 117.4(3) . 1_555 1_555 yes S(1) C(1) N(1) 118.2(3) . 1_555 1_555 yes S(1) C(1) C(2) 116.8(2) . 1_555 1_555 yes N(1) C(1) C(2) 125.1(3) . 1_555 1_555 yes O(1) C(2) C(1) 121.8(3) . 1_555 1_555 yes O(1) C(2) C(3) 122.1(3) . 1_555 1_555 yes C(1) C(2) C(3) 116.1(3) . 1_555 1_555 yes C(2) C(3) C(4) 118.6(4) . 1_555 1_555 yes C(3) C(4) C(5) 120.4(3) . 1_555 1_555 yes N(1) C(5) C(4) 122.6(4) . 1_555 1_555 yes Rh(1) C(6) C(7) 71.3(2) . 1_555 1_555 yes Rh(1) C(6) C(10) 71.6(2) . 1_555 1_555 yes Rh(1) C(6) C(11) 123.7(2) . 1_555 1_555 yes C(7) C(6) C(10) 107.6(3) . 1_555 1_555 yes C(7) C(6) C(11) 127.0(3) . 1_555 1_555 yes C(10) C(6) C(11) 125.4(3) . 1_555 1_555 yes Rh(1) C(7) C(6) 70.7(2) . 1_555 1_555 yes Rh(1) C(7) C(8) 70.1(2) . 1_555 1_555 yes Rh(1) C(7) C(12) 125.3(3) . 1_555 1_555 yes C(6) C(7) C(8) 108.0(3) . 1_555 1_555 yes C(6) C(7) C(12) 126.4(4) . 1_555 1_555 yes C(8) C(7) C(12) 125.6(4) . 1_555 1_555 yes Rh(1) C(8) C(7) 70.9(2) . 1_555 1_555 yes Rh(1) C(8) C(9) 72.3(2) . 1_555 1_555 yes Rh(1) C(8) C(13) 128.7(3) . 1_555 1_555 yes C(7) C(8) C(9) 107.9(3) . 1_555 1_555 yes C(7) C(8) C(13) 124.5(4) . 1_555 1_555 yes C(9) C(8) C(13) 127.0(4) . 1_555 1_555 yes Rh(1) C(9) C(8) 69.5(2) . 1_555 1_555 yes Rh(1) C(9) C(10) 71.0(2) . 1_555 1_555 yes Rh(1) C(9) C(14) 126.9(3) . 1_555 1_555 yes C(8) C(9) C(10) 108.1(3) . 1_555 1_555 yes C(8) C(9) C(14) 126.0(4) . 1_555 1_555 yes C(10) C(9) C(14) 125.9(4) . 1_555 1_555 yes Rh(1) C(10) C(6) 69.5(2) . 1_555 1_555 yes Rh(1) C(10) C(9) 71.4(2) . 1_555 1_555 yes Rh(1) C(10) C(15) 123.3(3) . 1_555 1_555 yes C(6) C(10) C(9) 108.4(3) . 1_555 1_555 yes C(6) C(10) C(15) 124.5(4) . 1_555 1_555 yes C(9) C(10) C(15) 127.1(4) . 1_555 1_555 yes S(2) C(21) N(2) 118.4(3) . 1_555 1_555 yes S(2) C(21) C(22) 117.7(2) . 1_555 1_555 yes N(2) C(21) C(22) 123.9(3) . 1_555 1_555 yes O(2) C(22) C(21) 120.7(3) . 1_555 1_555 yes O(2) C(22) C(23) 123.2(3) . 1_555 1_555 yes C(21) C(22) C(23) 116.1(3) . 1_555 1_555 yes C(22) C(23) C(24) 119.6(4) . 1_555 1_555 yes C(23) C(24) C(25) 120.1(4) . 1_555 1_555 yes N(2) C(25) C(24) 122.8(3) . 1_555 1_555 yes Rh(2) C(26) C(27) 71.7(2) . 1_555 1_555 yes Rh(2) C(26) C(30) 71.5(2) . 1_555 1_555 yes Rh(2) C(26) C(31) 123.8(3) . 1_555 1_555 yes C(27) C(26) C(30) 106.9(4) . 1_555 1_555 yes C(27) C(26) C(31) 122.7(7) . 1_555 1_555 yes C(30) C(26) C(31) 130.4(8) . 1_555 1_555 yes Rh(2) C(27) C(26) 69.2(2) . 1_555 1_555 yes Rh(2) C(27) C(28) 70.5(2) . 1_555 1_555 yes Rh(2) C(27) C(32) 125.5(3) . 1_555 1_555 yes C(26) C(27) C(28) 107.2(4) . 1_555 1_555 yes C(26) C(27) C(32) 126.8(5) . 1_555 1_555 yes C(28) C(27) C(32) 126.1(6) . 1_555 1_555 yes Rh(2) C(28) C(27) 71.6(2) . 1_555 1_555 yes Rh(2) C(28) C(29) 72.5(2) . 1_555 1_555 yes Rh(2) C(28) C(33) 128.7(2) . 1_555 1_555 yes C(27) C(28) C(29) 109.4(4) . 1_555 1_555 yes C(27) C(28) C(33) 123.5(4) . 1_555 1_555 yes C(29) C(28) C(33) 126.6(4) . 1_555 1_555 yes Rh(2) C(29) C(28) 69.3(2) . 1_555 1_555 yes Rh(2) C(29) C(30) 70.2(2) . 1_555 1_555 yes Rh(2) C(29) C(34) 126.8(3) . 1_555 1_555 yes C(28) C(29) C(30) 107.7(4) . 1_555 1_555 yes C(28) C(29) C(34) 125.2(4) . 1_555 1_555 yes C(30) C(29) C(34) 127.1(4) . 1_555 1_555 yes Rh(2) C(30) C(26) 69.3(2) . 1_555 1_555 yes Rh(2) C(30) C(29) 72.7(2) . 1_555 1_555 yes Rh(2) C(30) C(35) 122.9(3) . 1_555 1_555 yes C(26) C(30) C(29) 108.8(4) . 1_555 1_555 yes C(26) C(30) C(35) 126.3(7) . 1_555 1_555 yes C(29) C(30) C(35) 124.8(7) . 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Rh(1) S(1) Rh(1) S(1) 0.0 1_555 1_555 2_566 2_566 yes Rh(1) S(1) Rh(1) O(1) -82.97(7) 1_555 1_555 2_566 2_566 yes Rh(1) S(1) Rh(1) C(6) 177.0(4) 1_555 1_555 2_566 2_566 yes Rh(1) S(1) Rh(1) C(7) 91.9(2) 1_555 1_555 2_566 2_566 yes Rh(1) S(1) Rh(1) C(8) 116.7(1) 1_555 1_555 2_566 2_566 yes Rh(1) S(1) Rh(1) C(9) 156.1(1) 1_555 1_555 2_566 2_566 yes Rh(1) S(1) Rh(1) C(10) -172.2(1) 1_555 1_555 2_566 2_566 yes Rh(1) S(1) C(1) N(1) 160.7(2) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(1) C(2) -21.0(2) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(1) S(1) 0.0 1_555 2_566 2_566 1_555 yes Rh(1) S(1) Rh(1) O(1) 84.41(7) 1_555 2_566 2_566 2_566 yes Rh(1) S(1) Rh(1) C(6) -179.2(1) 1_555 2_566 2_566 2_566 yes Rh(1) S(1) Rh(1) C(7) -142.7(1) 1_555 2_566 2_566 2_566 yes Rh(1) S(1) Rh(1) C(8) -108.3(1) 1_555 2_566 2_566 2_566 yes Rh(1) S(1) Rh(1) C(9) -107.9(2) 1_555 2_566 2_566 2_566 yes Rh(1) S(1) Rh(1) C(10) 168.5(2) 1_555 2_566 2_566 2_566 yes Rh(1) S(1) C(1) N(1) 101.4(2) 1_555 2_566 2_566 2_566 yes Rh(1) S(1) C(1) C(2) -76.9(2) 1_555 2_566 2_566 2_566 yes Rh(1) O(1) C(2) C(1) 22.4(4) 1_555 1_555 1_555 1_555 yes Rh(1) O(1) C(2) C(3) -157.1(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(6) C(7) C(8) -60.5(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(6) C(7) C(12) 120.1(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(6) C(10) C(9) 61.1(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(6) C(10) C(15) -117.0(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(7) C(6) C(10) 62.9(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(7) C(6) C(11) -118.5(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(7) C(8) C(9) -63.3(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(7) C(8) C(13) 124.4(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(8) C(7) C(6) 60.8(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(8) C(7) C(12) -119.7(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(8) C(9) C(10) -60.8(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(8) C(9) C(14) 121.4(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(9) C(8) C(7) 62.4(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(9) C(8) C(13) -125.6(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(9) C(10) C(6) -59.9(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(9) C(10) C(15) 118.2(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(6) C(7) -62.6(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(6) C(11) 118.7(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(9) C(8) 59.9(2) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(9) C(14) -122.3(4) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(2) S(2) 0.0 1_555 1_555 2_655 2_655 yes Rh(2) S(2) Rh(2) O(2) -82.83(6) 1_555 1_555 2_655 2_655 yes Rh(2) S(2) Rh(2) C(26) 175.4(7) 1_555 1_555 2_655 2_655 yes Rh(2) S(2) Rh(2) C(27) 92.3(2) 1_555 1_555 2_655 2_655 yes Rh(2) S(2) Rh(2) C(28) 115.7(1) 1_555 1_555 2_655 2_655 yes Rh(2) S(2) Rh(2) C(29) 154.7(1) 1_555 1_555 2_655 2_655 yes Rh(2) S(2) Rh(2) C(30) -174.1(2) 1_555 1_555 2_655 2_655 yes Rh(2) S(2) C(21) N(2) 157.5(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(21) C(22) -22.2(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(2) S(2) 0.0 1_555 2_655 2_655 1_555 yes Rh(2) S(2) Rh(2) O(2) 83.87(7) 1_555 2_655 2_655 2_655 yes Rh(2) S(2) Rh(2) C(26) -178.7(2) 1_555 2_655 2_655 2_655 yes Rh(2) S(2) Rh(2) C(27) -141.5(1) 1_555 2_655 2_655 2_655 yes Rh(2) S(2) Rh(2) C(28) -108.3(1) 1_555 2_655 2_655 2_655 yes Rh(2) S(2) Rh(2) C(29) -107.0(2) 1_555 2_655 2_655 2_655 yes Rh(2) S(2) Rh(2) C(30) 170.9(2) 1_555 2_655 2_655 2_655 yes Rh(2) S(2) C(21) N(2) 105.9(2) 1_555 2_655 2_655 2_655 yes Rh(2) S(2) C(21) C(22) -74.4(2) 1_555 2_655 2_655 2_655 yes Rh(2) O(2) C(22) C(21) 23.4(4) 1_555 1_555 1_555 1_555 yes Rh(2) O(2) C(22) C(23) -157.3(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(26) C(27) C(28) -60.7(2) 1_555 1_555 1_555 1_555 yes Rh(2) C(26) C(27) C(32) 119.5(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(26) C(30) C(29) 62.4(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(26) C(30) C(35) -116.3(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(27) C(26) C(30) 63.4(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(27) C(26) C(31) -119.0(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(27) C(28) C(29) -63.1(2) 1_555 1_555 1_555 1_555 yes Rh(2) C(27) C(28) C(33) 124.8(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(28) C(27) C(26) 59.8(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(28) C(27) C(32) -120.3(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(28) C(29) C(30) -59.9(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(28) C(29) C(34) 121.1(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(29) C(28) C(27) 62.6(2) 1_555 1_555 1_555 1_555 yes Rh(2) C(29) C(28) C(33) -125.7(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(29) C(30) C(26) -60.2(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(29) C(30) C(35) 118.4(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(26) C(27) -63.5(2) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(26) C(31) 119.1(5) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(29) C(28) 59.4(2) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(29) C(34) -121.7(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) S(1) Rh(1) 0.0 1_555 1_555 2_566 2_566 yes S(1) Rh(1) S(1) C(1) 97.0(1) 1_555 1_555 2_566 2_566 yes S(1) Rh(1) O(1) C(2) -27.9(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(6) C(7) -73.8(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(6) C(10) 169.5(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(6) C(11) 48.7(3) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(7) C(6) 114.7(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(7) C(8) -126.9(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(7) C(12) -6.7(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(8) C(7) 63.4(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(8) C(9) -179.7(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(8) C(13) -56.0(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(9) C(8) 0.6(3) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(9) C(10) 119.2(3) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(9) C(14) -119.7(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(6) -18.6(3) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(9) -137.3(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(15) 99.9(3) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) S(1) Rh(1) 0.0 1_555 2_566 2_566 1_555 yes S(1) Rh(1) S(1) C(1) -107.36(10) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) O(1) C(2) 112.5(2) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(6) C(7) -103.0(4) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(6) C(10) 13.6(5) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(6) C(11) 134.5(3) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(7) C(6) 157.5(1) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(7) C(8) 39.1(3) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(7) C(12) -81.1(4) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(8) C(7) -156.3(2) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(8) C(9) 86.8(2) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(8) C(13) -36.8(5) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(9) C(8) -104.4(2) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(9) C(10) 137.0(2) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(9) C(14) 15.8(5) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(10) C(6) -176.0(2) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(10) C(9) -57.2(3) 1_555 2_566 2_566 2_566 yes S(1) Rh(1) C(10) C(15) 65.5(4) 1_555 2_566 2_566 2_566 yes S(1) C(1) N(1) C(5) 179.2(3) 1_555 1_555 1_555 1_555 yes S(1) C(1) C(2) O(1) 2.5(4) 1_555 1_555 1_555 1_555 yes S(1) C(1) C(2) C(3) -178.0(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) S(2) Rh(2) 0.0 1_555 1_555 2_655 2_655 yes S(2) Rh(2) S(2) C(21) 96.1(1) 1_555 1_555 2_655 2_655 yes S(2) Rh(2) O(2) C(22) -29.4(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(26) C(27) -73.0(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(26) C(30) 171.4(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(26) C(31) 44.7(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(27) C(26) 115.5(3) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(27) C(28) -126.5(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(27) C(32) -5.5(6) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(28) C(27) 62.8(3) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(28) C(29) -179.1(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(28) C(33) -55.8(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(29) C(28) 1.9(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(29) C(30) 120.7(3) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(29) C(34) -117.2(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(26) -15.5(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(29) -134.1(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(35) 105.1(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) S(2) Rh(2) 0.0 1_555 2_655 2_655 1_555 yes S(2) Rh(2) S(2) C(21) -107.9(1) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) O(2) C(22) 115.3(2) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(26) C(27) -102.1(7) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(26) C(30) 13.5(9) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(26) C(31) 140.2(7) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(27) C(26) 155.8(2) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(27) C(28) 37.8(3) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(27) C(32) -83.2(6) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(28) C(27) -156.3(2) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(28) C(29) 85.5(2) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(28) C(33) -37.7(4) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(29) C(28) -105.1(2) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(29) C(30) 136.1(3) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(29) C(34) 14.0(4) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(30) C(26) -175.7(3) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(30) C(29) -57.1(3) 1_555 2_655 2_655 2_655 yes S(2) Rh(2) C(30) C(35) 63.7(7) 1_555 2_655 2_655 2_655 yes S(2) C(21) N(2) C(25) 177.6(3) 1_555 1_555 1_555 1_555 yes S(2) C(21) C(22) O(2) 2.8(4) 1_555 1_555 1_555 1_555 yes S(2) C(21) C(22) C(23) -176.6(2) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) S(1) C(1) 23.0(1) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) S(1) C(1) 180.0(1) 1_555 1_555 2_566 2_566 yes O(1) Rh(1) C(6) C(7) -158.7(2) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(6) C(10) 84.6(2) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(6) C(11) -36.2(3) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(7) C(6) 29.5(3) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(7) C(8) 147.9(2) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(7) C(12) -91.9(4) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(8) C(7) -82.8(4) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(8) C(9) 34.1(4) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(8) C(13) 157.8(4) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(9) C(8) -165.1(2) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(9) C(10) -46.5(3) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(9) C(14) 74.7(5) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(10) C(6) -99.5(2) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(10) C(9) 141.8(2) 1_555 1_555 1_555 1_555 yes O(1) Rh(1) C(10) C(15) 19.0(3) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(1) N(1) -179.3(3) 1_555 1_555 1_555 1_555 yes O(1) C(2) C(3) C(4) 178.6(3) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) S(2) C(21) 24.0(1) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) S(2) C(21) 178.9(1) 1_555 1_555 2_655 2_655 yes O(2) Rh(2) C(26) C(27) -158.2(2) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(26) C(30) 86.2(3) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(26) C(31) -40.6(8) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(27) C(26) 31.1(3) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(27) C(28) 149.0(2) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(27) C(32) -90.0(6) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(28) C(27) -82.6(4) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(28) C(29) 35.5(4) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(28) C(33) 158.8(4) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(29) C(28) -165.2(2) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(29) C(30) -46.5(3) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(29) C(34) 75.7(4) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(30) C(26) -99.0(3) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(30) C(29) 142.4(3) 1_555 1_555 1_555 1_555 yes O(2) Rh(2) C(30) C(35) 21.7(7) 1_555 1_555 1_555 1_555 yes O(2) C(22) C(21) N(2) -177.0(3) 1_555 1_555 1_555 1_555 yes O(2) C(22) C(23) C(24) 178.7(3) 1_555 1_555 1_555 1_555 yes N(1) C(1) C(2) C(3) 0.2(5) 1_555 1_555 1_555 1_555 yes N(1) C(5) C(4) C(3) 0.8(6) 1_555 1_555 1_555 1_555 yes N(2) C(21) C(22) C(23) 3.7(5) 1_555 1_555 1_555 1_555 yes N(2) C(25) C(24) C(23) 1.6(6) 1_555 1_555 1_555 1_555 yes C(1) S(1) Rh(1) C(6) -73.4(1) 1_555 1_555 1_555 1_555 yes C(1) S(1) Rh(1) C(7) -109.9(1) 1_555 1_555 1_555 1_555 yes C(1) S(1) Rh(1) C(8) -144.4(1) 1_555 1_555 1_555 1_555 yes C(1) S(1) Rh(1) C(9) -144.7(2) 1_555 1_555 1_555 1_555 yes C(1) S(1) Rh(1) C(10) -61.1(2) 1_555 1_555 1_555 1_555 yes C(1) S(1) Rh(1) C(6) 80.0(4) 1_555 1_555 2_566 2_566 yes C(1) S(1) Rh(1) C(7) -5.1(2) 1_555 1_555 2_566 2_566 yes C(1) S(1) Rh(1) C(8) 19.7(2) 1_555 1_555 2_566 2_566 yes C(1) S(1) Rh(1) C(9) 59.0(2) 1_555 1_555 2_566 2_566 yes C(1) S(1) Rh(1) C(10) 90.8(2) 1_555 1_555 2_566 2_566 yes C(1) N(1) C(5) C(4) -1.6(5) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(3) C(4) -1.0(5) 1_555 1_555 1_555 1_555 yes C(2) O(1) Rh(1) C(6) 81.1(2) 1_555 1_555 1_555 1_555 yes C(2) O(1) Rh(1) C(7) 63.3(3) 1_555 1_555 1_555 1_555 yes C(2) O(1) Rh(1) C(8) 122.1(3) 1_555 1_555 1_555 1_555 yes C(2) O(1) Rh(1) C(9) 146.2(2) 1_555 1_555 1_555 1_555 yes C(2) O(1) Rh(1) C(10) 119.9(2) 1_555 1_555 1_555 1_555 yes C(2) C(1) N(1) C(5) 1.1(5) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(4) C(5) 0.5(6) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(7) C(8) 118.4(3) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(7) C(12) -121.4(4) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(8) C(7) -36.9(2) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(8) C(9) 80.0(2) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(8) C(13) -156.3(5) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(9) C(8) -81.0(2) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(9) C(10) 37.6(2) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(9) C(14) 158.8(5) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(10) C(9) -118.7(3) 1_555 1_555 1_555 1_555 yes C(6) Rh(1) C(10) C(15) 118.5(4) 1_555 1_555 1_555 1_555 yes C(6) C(7) Rh(1) C(8) -118.4(3) 1_555 1_555 1_555 1_555 yes C(6) C(7) Rh(1) C(9) -80.6(2) 1_555 1_555 1_555 1_555 yes C(6) C(7) Rh(1) C(10) -38.7(2) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(9) -2.5(4) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(13) -174.8(3) 1_555 1_555 1_555 1_555 yes C(6) C(10) Rh(1) C(7) 37.8(2) 1_555 1_555 1_555 1_555 yes C(6) C(10) Rh(1) C(8) 81.5(2) 1_555 1_555 1_555 1_555 yes C(6) C(10) Rh(1) C(9) 118.7(3) 1_555 1_555 1_555 1_555 yes C(6) C(10) C(9) C(8) -0.1(4) 1_555 1_555 1_555 1_555 yes C(6) C(10) C(9) C(14) 177.8(3) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(6) C(10) -116.6(3) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(6) C(11) 122.5(4) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(8) C(9) 116.9(3) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(8) C(13) -119.4(6) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(9) C(8) -38.5(2) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(9) C(10) 80.1(2) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(9) C(14) -158.8(5) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(10) C(9) -80.9(2) 1_555 1_555 1_555 1_555 yes C(7) Rh(1) C(10) C(15) 156.4(4) 1_555 1_555 1_555 1_555 yes C(7) C(6) Rh(1) C(8) 37.8(2) 1_555 1_555 1_555 1_555 yes C(7) C(6) Rh(1) C(9) 80.3(2) 1_555 1_555 1_555 1_555 yes C(7) C(6) Rh(1) C(10) 116.6(3) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(10) C(9) -1.5(4) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(10) C(15) -179.7(3) 1_555 1_555 1_555 1_555 yes C(7) C(8) Rh(1) C(9) -116.9(3) 1_555 1_555 1_555 1_555 yes C(7) C(8) Rh(1) C(10) -80.3(2) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(10) 1.5(4) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(14) -176.3(3) 1_555 1_555 1_555 1_555 yes C(8) Rh(1) C(6) C(10) -78.9(2) 1_555 1_555 1_555 1_555 yes C(8) Rh(1) C(6) C(11) 160.3(4) 1_555 1_555 1_555 1_555 yes C(8) Rh(1) C(7) C(12) 120.2(5) 1_555 1_555 1_555 1_555 yes C(8) Rh(1) C(9) C(10) 118.6(3) 1_555 1_555 1_555 1_555 yes C(8) Rh(1) C(9) C(14) -120.2(5) 1_555 1_555 1_555 1_555 yes C(8) Rh(1) C(10) C(9) -37.3(2) 1_555 1_555 1_555 1_555 yes C(8) Rh(1) C(10) C(15) -160.0(4) 1_555 1_555 1_555 1_555 yes C(8) C(7) Rh(1) C(9) 37.8(2) 1_555 1_555 1_555 1_555 yes C(8) C(7) Rh(1) C(10) 79.7(2) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(6) C(10) 2.4(3) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(6) C(11) -179.0(3) 1_555 1_555 1_555 1_555 yes C(8) C(9) Rh(1) C(10) -118.6(3) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(10) C(15) 178.1(3) 1_555 1_555 1_555 1_555 yes C(9) Rh(1) C(6) C(10) -36.4(2) 1_555 1_555 1_555 1_555 yes C(9) Rh(1) C(6) C(11) -157.2(4) 1_555 1_555 1_555 1_555 yes C(9) Rh(1) C(7) C(12) 158.0(4) 1_555 1_555 1_555 1_555 yes C(9) Rh(1) C(8) C(13) 123.7(5) 1_555 1_555 1_555 1_555 yes C(9) Rh(1) C(10) C(15) -122.7(4) 1_555 1_555 1_555 1_555 yes C(9) C(8) Rh(1) C(10) 36.6(2) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(7) C(12) 177.0(3) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(6) C(11) 179.9(3) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(6) C(11) -120.8(4) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(7) C(12) -160.1(4) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(8) C(13) 160.3(5) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(9) C(14) 121.2(6) 1_555 1_555 1_555 1_555 yes C(10) C(6) C(7) C(12) -177.0(3) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(8) C(13) 173.6(3) 1_555 1_555 1_555 1_555 yes C(11) C(6) C(7) C(12) 1.6(5) 1_555 1_555 1_555 1_555 yes C(11) C(6) C(10) C(15) 1.7(5) 1_555 1_555 1_555 1_555 yes C(12) C(7) C(8) C(13) 4.7(5) 1_555 1_555 1_555 1_555 yes C(13) C(8) C(9) C(14) -4.2(6) 1_555 1_555 1_555 1_555 yes C(14) C(9) C(10) C(15) -4.1(6) 1_555 1_555 1_555 1_555 yes C(21) S(2) Rh(2) C(26) -73.4(2) 1_555 1_555 1_555 1_555 yes C(21) S(2) Rh(2) C(27) -110.6(2) 1_555 1_555 1_555 1_555 yes C(21) S(2) Rh(2) C(28) -143.8(1) 1_555 1_555 1_555 1_555 yes C(21) S(2) Rh(2) C(29) -145.1(3) 1_555 1_555 1_555 1_555 yes C(21) S(2) Rh(2) C(30) -63.0(3) 1_555 1_555 1_555 1_555 yes C(21) S(2) Rh(2) C(26) 79.2(7) 1_555 1_555 2_655 2_655 yes C(21) S(2) Rh(2) C(27) -3.8(2) 1_555 1_555 2_655 2_655 yes C(21) S(2) Rh(2) C(28) 19.5(2) 1_555 1_555 2_655 2_655 yes C(21) S(2) Rh(2) C(29) 58.6(2) 1_555 1_555 2_655 2_655 yes C(21) S(2) Rh(2) C(30) 89.7(2) 1_555 1_555 2_655 2_655 yes C(21) N(2) C(25) C(24) -0.1(5) 1_555 1_555 1_555 1_555 yes C(21) C(22) C(23) C(24) -2.0(5) 1_555 1_555 1_555 1_555 yes C(22) O(2) Rh(2) C(26) 79.7(3) 1_555 1_555 1_555 1_555 yes C(22) O(2) Rh(2) C(27) 60.4(3) 1_555 1_555 1_555 1_555 yes C(22) O(2) Rh(2) C(28) 119.6(3) 1_555 1_555 1_555 1_555 yes C(22) O(2) Rh(2) C(29) 144.9(2) 1_555 1_555 1_555 1_555 yes C(22) O(2) Rh(2) C(30) 118.9(3) 1_555 1_555 1_555 1_555 yes C(22) C(21) N(2) C(25) -2.7(5) 1_555 1_555 1_555 1_555 yes C(22) C(23) C(24) C(25) -0.5(6) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(27) C(28) 118.0(4) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(27) C(32) -121.1(7) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(28) C(27) -38.1(3) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(28) C(29) 80.0(3) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(28) C(33) -156.7(5) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(29) C(28) -80.7(3) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(29) C(30) 38.0(3) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(29) C(34) 160.2(5) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(30) C(29) -118.6(4) 1_555 1_555 1_555 1_555 yes C(26) Rh(2) C(30) C(35) 120.7(8) 1_555 1_555 1_555 1_555 yes C(26) C(27) Rh(2) C(28) -118.0(4) 1_555 1_555 1_555 1_555 yes C(26) C(27) Rh(2) C(29) -80.5(3) 1_555 1_555 1_555 1_555 yes C(26) C(27) Rh(2) C(30) -39.1(3) 1_555 1_555 1_555 1_555 yes C(26) C(27) C(28) C(29) -3.3(4) 1_555 1_555 1_555 1_555 yes C(26) C(27) C(28) C(33) -175.4(3) 1_555 1_555 1_555 1_555 yes C(26) C(30) Rh(2) C(27) 39.0(3) 1_555 1_555 1_555 1_555 yes C(26) C(30) Rh(2) C(28) 81.3(3) 1_555 1_555 1_555 1_555 yes C(26) C(30) Rh(2) C(29) 118.6(4) 1_555 1_555 1_555 1_555 yes C(26) C(30) C(29) C(28) -0.9(4) 1_555 1_555 1_555 1_555 yes C(26) C(30) C(29) C(34) 178.0(4) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(26) C(30) -115.6(4) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(26) C(31) 117.7(9) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(28) C(29) 118.1(3) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(28) C(33) -118.6(5) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(29) C(28) -37.1(2) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(29) C(30) 81.7(3) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(29) C(34) -156.2(5) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(30) C(29) -79.6(3) 1_555 1_555 1_555 1_555 yes C(27) Rh(2) C(30) C(35) 159.7(8) 1_555 1_555 1_555 1_555 yes C(27) C(26) Rh(2) C(28) 36.9(2) 1_555 1_555 1_555 1_555 yes C(27) C(26) Rh(2) C(29) 79.5(3) 1_555 1_555 1_555 1_555 yes C(27) C(26) Rh(2) C(30) 115.6(4) 1_555 1_555 1_555 1_555 yes C(27) C(26) C(30) C(29) -1.1(4) 1_555 1_555 1_555 1_555 yes C(27) C(26) C(30) C(35) -179.7(4) 1_555 1_555 1_555 1_555 yes C(27) C(28) Rh(2) C(29) -118.1(3) 1_555 1_555 1_555 1_555 yes C(27) C(28) Rh(2) C(30) -81.9(3) 1_555 1_555 1_555 1_555 yes C(27) C(28) C(29) C(30) 2.6(4) 1_555 1_555 1_555 1_555 yes C(27) C(28) C(29) C(34) -176.3(3) 1_555 1_555 1_555 1_555 yes C(28) Rh(2) C(26) C(30) -78.7(3) 1_555 1_555 1_555 1_555 yes C(28) Rh(2) C(26) C(31) 154.6(9) 1_555 1_555 1_555 1_555 yes C(28) Rh(2) C(27) C(32) 121.0(7) 1_555 1_555 1_555 1_555 yes C(28) Rh(2) C(29) C(30) 118.8(4) 1_555 1_555 1_555 1_555 yes C(28) Rh(2) C(29) C(34) -119.1(5) 1_555 1_555 1_555 1_555 yes C(28) Rh(2) C(30) C(29) -37.3(2) 1_555 1_555 1_555 1_555 yes C(28) Rh(2) C(30) C(35) -158.1(7) 1_555 1_555 1_555 1_555 yes C(28) C(27) Rh(2) C(29) 37.5(2) 1_555 1_555 1_555 1_555 yes C(28) C(27) Rh(2) C(30) 78.9(3) 1_555 1_555 1_555 1_555 yes C(28) C(27) C(26) C(30) 2.7(4) 1_555 1_555 1_555 1_555 yes C(28) C(27) C(26) C(31) -179.6(4) 1_555 1_555 1_555 1_555 yes C(28) C(29) Rh(2) C(30) -118.8(4) 1_555 1_555 1_555 1_555 yes C(28) C(29) C(30) C(35) 177.8(4) 1_555 1_555 1_555 1_555 yes C(29) Rh(2) C(26) C(30) -36.1(3) 1_555 1_555 1_555 1_555 yes C(29) Rh(2) C(26) C(31) -162.8(9) 1_555 1_555 1_555 1_555 yes C(29) Rh(2) C(27) C(32) 158.4(6) 1_555 1_555 1_555 1_555 yes C(29) Rh(2) C(28) C(33) 123.3(5) 1_555 1_555 1_555 1_555 yes C(29) Rh(2) C(30) C(35) -120.8(8) 1_555 1_555 1_555 1_555 yes C(29) C(28) Rh(2) C(30) 36.2(3) 1_555 1_555 1_555 1_555 yes C(29) C(28) C(27) C(32) 176.6(4) 1_555 1_555 1_555 1_555 yes C(29) C(30) C(26) C(31) -178.6(4) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(26) C(31) -126.7(9) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(27) C(32) -160.2(6) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(28) C(33) 159.5(5) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(29) C(34) 122.1(5) 1_555 1_555 1_555 1_555 yes C(30) C(26) C(27) C(32) -177.2(4) 1_555 1_555 1_555 1_555 yes C(30) C(29) C(28) C(33) 174.4(3) 1_555 1_555 1_555 1_555 yes C(31) C(26) C(27) C(32) 0.5(7) 1_555 1_555 1_555 1_555 yes C(31) C(26) C(30) C(35) 2.8(7) 1_555 1_555 1_555 1_555 yes C(32) C(27) C(28) C(33) 4.5(6) 1_555 1_555 1_555 1_555 yes C(33) C(28) C(29) C(34) -4.6(6) 1_555 1_555 1_555 1_555 yes C(34) C(29) C(30) C(35) -3.3(6) 1_555 1_555 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag O(1) O(13) 2.802(5) . 2_666 ? O(2) O(13) 2.767(5) . . ? O(11) O(12) 2.837(6) . 2_656 ? O(11) O(12) 2.841(6) . 1_455 ? O(11) N(2) 2.888(5) . 1_556 ? O(11) C(32) 3.473(7) . 2_655 ? O(12) O(13) 2.763(6) . . ? O(12) C(34) 3.255(6) . 2_756 ? C(4) C(25) 3.401(5) . 2_565 ? Rh(1) Rh(1) 3.544(2) . 2_566 ? Rh(2) Rh(2) 3.521(2) . 2_655 ? #------------------------------------------------------------------------------ data_[Rh2(Cp*)2(dmpymt)2](PF6)2 #------------------------------------------------------------------------------ _audit_creation_date 'Tue Feb 9 17:20:55 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'Rigaku/AFC Diffractometer Control' _computing_cell_refinement 'Rigaku/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution SHELXS86 _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _chemical_compound_source ? _chemical_name_common ? _chemical_formula_weight 1102.67 _chemical_formula_analytical ? _chemical_formula_sum 'C35 H50 F12 N4 O P2 S2 Rh2 ' _chemical_formula_moiety '?' _chemical_formula_structural ? _chemical_melting_point ? #------------------------------------------------------------------------------ _cell_length_a 15.727(4) _cell_length_b 13.366(3) _cell_length_c 21.707(2) _cell_angle_alpha 90 _cell_angle_beta 98.32(1) _cell_angle_gamma 90 _cell_volume 4514(1) _cell_formula_units_Z 4 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 11.4 _cell_measurement_theta_max 12.3 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/a ' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,z #------------------------------------------------------------------------------ _exptl_crystal_description 'column' _exptl_crystal_colour 'red' _exptl_crystal_size_max 0.300 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.150 _exptl_crystal_density_diffrn 1.622 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2224.00 _exptl_absorpt_coefficient_mu 0.975 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_process_details '(North, Phillips & Mathews, 1968)' _exptl_absorpt_correction_T_min 0.905 _exptl_absorpt_correction_T_max 0.999 _exptl_special_details ; ? ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'Rigaku rotating anode' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku AFC7R' _diffrn_measurement_method \w-2\q _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 4.86 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 1 3 3 -3 1 1 1 -2 -3 _diffrn_reflns_number 8274 _reflns_number_total 7954 _reflns_number_gt 5128 _reflns_observed_expression >2.0sigma(I) _diffrn_reflns_av_R_equivalents 0.023 _diffrn_reflns_av_sigmaI/netI 0.080 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 0 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 2.62 _diffrn_reflns_theta_max 25.00 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 -0.00572 _diffrn_orient_matrix_UB_12 0.02672 _diffrn_orient_matrix_UB_13 -0.04343 _diffrn_orient_matrix_UB_21 0.00119 _diffrn_orient_matrix_UB_22 -0.06978 _diffrn_orient_matrix_UB_23 -0.01646 _diffrn_orient_matrix_UB_31 -0.06399 _diffrn_orient_matrix_UB_32 -0.00370 _diffrn_orient_matrix_UB_33 -0.00319 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_imag _atom_type_scat_source 'Rh' 'Rh' -1.118 0.919 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; 'N' 'N' 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'S' 'S' 0.125 0.123 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'P' 'P' 0.102 0.094 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'F' 'F' 0.017 0.010 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #------------------------------------------------------------------------------ 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_flags _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh(1) Rh 0.33559(4) 0.75864(4) 0.31738(3) 0.0404(2) Uani 1.00 d . . . Rh(2) Rh 0.33709(4) 0.62033(5) 0.17575(3) 0.0489(2) Uani 1.00 d . . . S(1) S 0.4427(1) 0.6858(2) 0.2596(1) 0.0493(6) Uani 1.00 d . . . S(2) S 0.2308(1) 0.6828(2) 0.23781(10) 0.0487(6) Uani 1.00 d . . . P(1) P 0.3461(2) 0.1614(2) 0.4293(2) 0.079(1) Uani 1.00 d . . . P(2) P 0.1991(2) 0.1343(3) 0.1005(2) 0.090(1) Uani 1.00 d . . . F(1) F 0.4107(7) 0.2341(7) 0.4666(6) 0.187(5) Uani 1.00 d . . . F(2) F 0.2687(7) 0.2262(9) 0.4372(6) 0.222(6) Uani 1.00 d . . . F(3) F 0.352(1) 0.214(2) 0.3720(6) 0.306(9) Uani 1.00 d . . . F(4) F 0.4198(7) 0.0940(10) 0.4220(9) 0.277(8) Uani 1.00 d . . . F(5) F 0.341(1) 0.116(1) 0.4895(7) 0.297(9) Uani 1.00 d . . . F(6) F 0.2827(6) 0.0866(9) 0.3973(7) 0.239(6) Uani 1.00 d . . . F(7) F 0.2745(6) 0.1263(9) 0.1538(5) 0.198(5) Uani 1.00 d . . . F(8) F 0.1324(7) 0.111(1) 0.1436(5) 0.214(6) Uani 1.00 d . . . F(9) F 0.1881(8) 0.2423(8) 0.1218(8) 0.230(7) Uani 1.00 d . . . F(10) F 0.2586(8) 0.168(1) 0.0575(5) 0.276(8) Uani 1.00 d . . . F(11) F 0.206(1) 0.0285(9) 0.0889(10) 0.320(9) Uani 1.00 d . . . F(12) F 0.1254(7) 0.144(1) 0.0481(4) 0.203(5) Uani 1.00 d . . . O(51) O 0.506(2) -0.006(3) 0.118(2) 0.112(10) Uiso 0.30 d P . . O(52) O 0.556(2) 0.029(2) 0.160(1) 0.135(9) Uiso 0.40 d P . . O(53) O 0.525(2) 0.136(3) 0.173(2) 0.11(1) Uiso 0.30 d P . . N(1a) N 0.3815(6) 0.6168(7) 0.3529(4) 0.044(2) Uiso 0.65 d P . . N(1b) N 0.292(1) 0.613(1) 0.3460(8) 0.042(4) Uiso 0.35 d P . . N(3) N 0.4961(5) 0.5208(6) 0.3262(4) 0.063(2) Uiso 1.00 d . . . N(21a) N 0.2875(7) 0.5090(8) 0.2310(5) 0.052(3) Uiso 0.65 d P . . N(21b) N 0.390(1) 0.511(1) 0.2464(8) 0.047(5) Uiso 0.35 d P . . N(23) N 0.1790(5) 0.5177(6) 0.2941(3) 0.060(2) Uiso 1.00 d . . . C(2a) C 0.4404(7) 0.5969(9) 0.3163(6) 0.042(3) Uiso 0.65 d P . . C(2b) C 0.451(1) 0.561(2) 0.286(1) 0.043(5) Uiso 0.35 d P . . C(4a) C 0.4862(9) 0.453(1) 0.3700(7) 0.055(4) Uiso 0.65 d P . . C(4b) C 0.491(2) 0.429(2) 0.343(1) 0.047(6) Uiso 0.35 d P . . C(5a) C 0.4237(9) 0.466(1) 0.4073(7) 0.066(4) Uiso 0.65 d P . . C(5b) C 0.432(2) 0.364(2) 0.311(1) 0.063(7) Uiso 0.35 d P . . C(6a) C 0.3674(9) 0.5518(10) 0.3986(6) 0.051(3) Uiso 0.65 d P . . C(6b) C 0.383(2) 0.407(2) 0.260(1) 0.063(7) Uiso 0.35 d P . . C(7a) C 0.549(1) 0.366(2) 0.3759(10) 0.086(6) Uiso 0.65 d P . . C(7b) C 0.553(2) 0.383(2) 0.404(2) 0.068(9) Uiso 0.35 d P . . C(8a) C 0.298(1) 0.570(1) 0.4361(8) 0.069(4) Uiso 0.65 d P . . C(8b) C 0.314(2) 0.347(2) 0.217(1) 0.063(7) Uiso 0.35 d P . . C(10) C 0.3621(6) 0.9141(6) 0.3071(4) 0.056(3) Uani 1.00 d . . . C(11) C 0.4098(5) 0.8801(6) 0.3629(4) 0.052(3) Uani 1.00 d . . . C(12) C 0.3509(5) 0.8482(6) 0.4024(4) 0.050(2) Uani 1.00 d . . . C(13) C 0.2668(5) 0.8595(6) 0.3705(4) 0.051(2) Uani 1.00 d . . . C(14) C 0.2725(5) 0.9029(6) 0.3115(4) 0.052(2) Uani 1.00 d . . . C(15) C 0.3988(8) 0.9662(8) 0.2549(5) 0.087(4) Uani 1.00 d . . . C(16) C 0.5048(6) 0.8832(8) 0.3803(6) 0.081(4) Uani 1.00 d . . . C(17) C 0.3759(7) 0.8183(8) 0.4693(5) 0.080(4) Uani 1.00 d . . . C(18) C 0.1837(6) 0.8398(8) 0.3957(5) 0.076(3) Uani 1.00 d . . . C(19) C 0.1984(7) 0.9357(7) 0.2633(5) 0.075(3) Uani 1.00 d . . . C(22a) C 0.2295(8) 0.5586(10) 0.2581(6) 0.051(3) Uiso 0.65 d P . . C(22b) C 0.233(1) 0.591(2) 0.299(1) 0.049(6) Uiso 0.35 d P . . C(24a) C 0.186(1) 0.423(1) 0.3065(8) 0.075(4) Uiso 0.65 d P . . C(24b) C 0.193(2) 0.447(2) 0.344(1) 0.060(7) Uiso 0.35 d P . . C(25a) C 0.2465(10) 0.366(1) 0.2819(7) 0.073(4) Uiso 0.65 d P . . C(25b) C 0.254(2) 0.467(2) 0.395(1) 0.059(7) Uiso 0.35 d P . . C(26a) C 0.3008(10) 0.409(1) 0.2431(7) 0.065(4) Uiso 0.65 d P . . C(26b) C 0.302(2) 0.550(2) 0.399(1) 0.050(6) Uiso 0.35 d P . . C(27a) C 0.130(1) 0.381(1) 0.3562(9) 0.080(6) Uiso 0.65 d P . . C(27b) C 0.127(2) 0.358(2) 0.331(1) 0.052(7) Uiso 0.35 d P . . C(28a) C 0.371(1) 0.355(1) 0.2171(8) 0.076(5) Uiso 0.65 d P . . C(28b) C 0.372(2) 0.579(2) 0.450(1) 0.058(6) Uiso 0.35 d P . . C(30) C 0.364(1) 0.7128(9) 0.1022(5) 0.109(6) Uani 1.00 d . . . C(31) C 0.4152(8) 0.633(1) 0.1025(5) 0.092(5) Uani 1.00 d . . . C(32) C 0.3684(9) 0.550(1) 0.0923(5) 0.088(4) Uani 1.00 d . . . C(33) C 0.2827(9) 0.570(1) 0.0838(5) 0.094(5) Uani 1.00 d . . . C(34) C 0.276(1) 0.675(1) 0.0887(5) 0.104(5) Uani 1.00 d . . . C(35) C 0.385(3) 0.820(1) 0.1060(8) 0.36(2) Uani 1.00 d . . . C(36) C 0.5083(10) 0.638(2) 0.1091(8) 0.26(1) Uani 1.00 d . . . C(37) C 0.409(2) 0.443(2) 0.0850(8) 0.23(1) Uani 1.00 d . . . C(38) C 0.205(1) 0.501(2) 0.0668(7) 0.25(1) Uani 1.00 d . . . C(39) C 0.189(1) 0.727(2) 0.0763(8) 0.28(1) Uani 1.00 d . . . C(51) C 0.506(1) 0.091(2) 0.123(1) 0.153(7) Uiso 1.00 d . . . C(52) C 0.485(3) 0.018(5) 0.078(3) 0.21(2) Uiso 0.50 d P . . C(53) C 0.490(2) 0.160(3) 0.057(2) 0.12(1) Uiso 0.50 d P . . C(54) C 0.494(2) 0.107(3) 0.064(2) 0.13(1) Uiso 0.50 d P . . C(55) C 0.497(2) 0.184(3) 0.176(2) 0.14(1) Uiso 0.50 d P . . H(1) H 0.4383 0.9230 0.2390 0.1047 Uiso 1.00 calc . . . H(2) H 0.3535 0.9829 0.2227 0.1047 Uiso 1.00 calc . . . H(3) H 0.4275 1.0256 0.2704 0.1047 Uiso 1.00 calc . . . H(4) H 0.5253 0.8183 0.3926 0.0973 Uiso 1.00 calc . . . H(5) H 0.5305 0.9048 0.3456 0.0973 Uiso 1.00 calc . . . H(6) H 0.5193 0.9286 0.4139 0.0973 Uiso 1.00 calc . . . H(7) H 0.3259 0.8014 0.4868 0.0964 Uiso 1.00 calc . . . H(8) H 0.4132 0.7620 0.4715 0.0964 Uiso 1.00 calc . . . H(9) H 0.4046 0.8724 0.4918 0.0964 Uiso 1.00 calc . . . H(10) H 0.1809 0.8812 0.4309 0.0915 Uiso 1.00 calc . . . H(11) H 0.1366 0.8542 0.3644 0.0915 Uiso 1.00 calc . . . H(12) H 0.1815 0.7716 0.4076 0.0915 Uiso 1.00 calc . . . H(13) H 0.2006 1.0061 0.2581 0.0895 Uiso 1.00 calc . . . H(14) H 0.2025 0.9036 0.2248 0.0895 Uiso 1.00 calc . . . H(15) H 0.1457 0.9179 0.2769 0.0895 Uiso 1.00 calc . . . H(16) H 0.4461 0.8281 0.1134 0.4264 Uiso 1.00 calc . . . H(17) H 0.3631 0.8520 0.0679 0.4264 Uiso 1.00 calc . . . H(18) H 0.3609 0.8499 0.1391 0.4264 Uiso 1.00 calc . . . H(19) H 0.5322 0.5988 0.1438 0.3114 Uiso 1.00 calc . . . H(20) H 0.5270 0.6127 0.0724 0.3114 Uiso 1.00 calc . . . H(21) H 0.5265 0.7054 0.1153 0.3114 Uiso 1.00 calc . . . H(22) H 0.3647 0.3945 0.0774 0.2746 Uiso 1.00 calc . . . H(23) H 0.4413 0.4437 0.0512 0.2746 Uiso 1.00 calc . . . H(24) H 0.4461 0.4262 0.1222 0.2746 Uiso 1.00 calc . . . H(25) H 0.1677 0.5076 0.0972 0.3018 Uiso 1.00 calc . . . H(26) H 0.1756 0.5197 0.0271 0.3018 Uiso 1.00 calc . . . H(27) H 0.2242 0.4339 0.0655 0.3018 Uiso 1.00 calc . . . H(28) H 0.1963 0.7965 0.0828 0.3353 Uiso 1.00 calc . . . H(29) H 0.1640 0.7145 0.0345 0.3353 Uiso 1.00 calc . . . H(30) H 0.1528 0.7007 0.1038 0.3353 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) 0.0407(3) 0.0360(3) 0.0450(4) 0.0019(3) 0.0080(3) 0.0020(3) Rh(2) 0.0519(4) 0.0501(4) 0.0461(4) -0.0014(3) 0.0114(3) -0.0005(3) S(1) 0.043(1) 0.045(1) 0.062(1) -0.0010(9) 0.0153(10) 0.003(1) S(2) 0.044(1) 0.049(1) 0.053(1) -0.0007(10) 0.0060(9) 0.0039(10) P(1) 0.081(2) 0.064(2) 0.091(2) 0.008(2) 0.005(2) -0.012(2) P(2) 0.098(2) 0.096(3) 0.077(2) -0.006(2) 0.010(2) 0.010(2) F(1) 0.167(9) 0.133(8) 0.25(1) -0.029(7) -0.009(8) -0.055(8) F(2) 0.169(9) 0.24(1) 0.24(1) 0.111(9) -0.025(9) -0.11(1) F(3) 0.35(2) 0.45(3) 0.114(9) 0.02(2) 0.01(1) 0.11(1) F(4) 0.140(9) 0.20(1) 0.51(3) 0.048(9) 0.08(1) -0.14(1) F(5) 0.27(2) 0.35(2) 0.25(2) -0.10(2) -0.02(1) 0.19(2) F(6) 0.127(8) 0.20(1) 0.38(2) -0.018(7) -0.020(9) -0.20(1) F(7) 0.155(9) 0.23(1) 0.182(10) -0.003(8) -0.073(7) 0.034(9) F(8) 0.19(1) 0.28(2) 0.18(1) -0.07(1) 0.066(9) 0.026(10) F(9) 0.21(1) 0.129(9) 0.35(2) 0.024(8) 0.03(1) -0.02(1) F(10) 0.19(1) 0.50(3) 0.16(1) -0.07(1) 0.084(9) 0.07(1) F(11) 0.29(2) 0.114(9) 0.54(3) 0.04(1) 0.00(2) -0.12(1) F(12) 0.173(9) 0.32(2) 0.098(7) -0.012(10) -0.044(6) 0.022(8) C(10) 0.075(6) 0.033(4) 0.063(6) -0.003(4) 0.022(5) 0.001(4) C(11) 0.049(5) 0.040(5) 0.066(6) -0.003(4) 0.008(4) -0.001(4) C(12) 0.058(5) 0.047(5) 0.043(5) -0.002(4) 0.005(4) -0.001(4) C(13) 0.052(5) 0.038(4) 0.064(6) 0.006(4) 0.014(4) 0.001(4) C(14) 0.057(5) 0.037(4) 0.060(5) 0.010(4) 0.007(4) 0.000(4) C(15) 0.122(10) 0.060(7) 0.086(8) -0.014(6) 0.037(7) 0.012(6) C(16) 0.052(6) 0.068(7) 0.122(10) -0.011(5) 0.007(6) -0.015(6) C(17) 0.102(8) 0.086(8) 0.053(6) 0.005(7) 0.008(6) 0.004(5) C(18) 0.068(6) 0.092(8) 0.074(7) 0.012(6) 0.029(5) 0.003(6) C(19) 0.080(7) 0.063(6) 0.078(7) 0.020(5) 0.002(6) 0.014(5) C(30) 0.23(2) 0.057(7) 0.050(7) -0.033(10) 0.041(10) -0.002(6) C(31) 0.080(8) 0.14(1) 0.057(7) -0.037(9) 0.027(6) -0.007(8) C(32) 0.11(1) 0.11(1) 0.049(6) 0.038(9) 0.028(6) 0.002(6) C(33) 0.088(9) 0.15(1) 0.042(6) -0.038(9) 0.005(6) -0.013(7) C(34) 0.13(1) 0.14(1) 0.042(6) 0.09(1) 0.018(7) 0.020(7) C(35) 0.86(7) 0.13(2) 0.08(1) -0.23(3) 0.08(2) -0.01(1) C(36) 0.08(1) 0.60(5) 0.10(1) -0.09(2) 0.027(9) 0.01(2) C(37) 0.40(3) 0.18(2) 0.13(1) 0.15(2) 0.10(2) 0.00(1) C(38) 0.29(3) 0.37(3) 0.09(1) -0.25(3) 0.02(1) -0.04(2) C(39) 0.26(2) 0.49(4) 0.10(1) 0.31(3) 0.07(1) 0.11(2) #------------------------------------------------------------------------------ _refine_special_details ; Refinement based on F against all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F, conventional R-factors (R) are calculated on F, with F set to zero for negative F. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. thus the refinement was done using all reflections. ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 5128 _refine_ls_number_parameters 495 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0523 _refine_ls_R_factor_gt 0.0523 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_ref 0.0691 _refine_ls_wR_factor_gt 0.0691 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_ref 2.184 _refine_ls_shift/su_max 0.0160 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -0.48 _refine_diff_density_max 1.18 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh(1) S(1) 2.444(2) 1_555 1_555 yes Rh(1) S(2) 2.430(2) 1_555 1_555 yes Rh(1) N(1a) 2.133(10) 1_555 1_555 yes Rh(1) N(1b) 2.18(2) 1_555 1_555 yes Rh(1) C(10) 2.137(8) 1_555 1_555 yes Rh(1) C(11) 2.154(8) 1_555 1_555 yes Rh(1) C(12) 2.183(8) 1_555 1_555 yes Rh(1) C(13) 2.163(8) 1_555 1_555 yes Rh(1) C(14) 2.163(8) 1_555 1_555 yes Rh(2) S(1) 2.441(2) 1_555 1_555 yes Rh(2) S(2) 2.441(2) 1_555 1_555 yes Rh(2) N(21a) 2.13(1) 1_555 1_555 yes Rh(2) N(21b) 2.20(2) 1_555 1_555 yes Rh(2) C(30) 2.11(1) 1_555 1_555 yes Rh(2) C(31) 2.15(1) 1_555 1_555 yes Rh(2) C(32) 2.16(1) 1_555 1_555 yes Rh(2) C(33) 2.16(1) 1_555 1_555 yes Rh(2) C(34) 2.12(1) 1_555 1_555 yes S(1) C(2a) 1.72(1) 1_555 1_555 yes S(1) C(2b) 1.76(2) 1_555 1_555 yes S(2) C(22a) 1.72(1) 1_555 1_555 yes S(2) C(22b) 1.80(2) 1_555 1_555 yes P(1) F(1) 1.546(9) 1_555 1_555 yes P(1) F(2) 1.524(9) 1_555 1_555 yes P(1) F(3) 1.44(1) 1_555 1_555 yes P(1) F(4) 1.494(10) 1_555 1_555 yes P(1) F(5) 1.45(1) 1_555 1_555 yes P(1) F(6) 1.510(9) 1_555 1_555 yes P(2) F(7) 1.536(9) 1_555 1_555 yes P(2) F(8) 1.534(10) 1_555 1_555 yes P(2) F(9) 1.53(1) 1_555 1_555 yes P(2) F(10) 1.483(10) 1_555 1_555 yes P(2) F(11) 1.44(1) 1_555 1_555 yes P(2) F(12) 1.508(9) 1_555 1_555 yes O(51) O(52) 1.21(4) 1_555 1_555 yes O(51) C(51) 1.30(4) 1_555 1_555 yes O(51) C(52) 0.95(6) 1_555 1_555 yes O(52) O(53) 1.55(4) 1_555 1_555 yes O(52) C(51) 1.34(3) 1_555 1_555 yes O(53) C(51) 1.24(3) 1_555 1_555 yes O(53) C(55) 0.78(4) 1_555 1_555 yes N(1a) N(1b) 1.39(2) 1_555 1_555 yes N(1a) C(2a) 1.33(1) 1_555 1_555 yes N(1a) C(6a) 1.36(2) 1_555 1_555 yes N(1b) C(6a) 1.73(2) 1_555 1_555 yes N(1b) C(22b) 1.32(3) 1_555 1_555 yes N(1b) C(26b) 1.41(3) 1_555 1_555 yes N(3) C(2a) 1.34(1) 1_555 1_555 yes N(3) C(2b) 1.17(2) 1_555 1_555 yes N(3) C(4a) 1.34(2) 1_555 1_555 yes N(3) C(4b) 1.28(2) 1_555 1_555 yes N(21a) N(21b) 1.60(2) 1_555 1_555 yes N(21a) C(22a) 1.33(2) 1_555 1_555 yes N(21a) C(26a) 1.37(2) 1_555 1_555 yes N(21b) C(2b) 1.36(3) 1_555 1_555 yes N(21b) C(6b) 1.43(3) 1_555 1_555 yes N(23) C(22a) 1.31(1) 1_555 1_555 yes N(23) C(22b) 1.29(2) 1_555 1_555 yes N(23) C(24a) 1.30(2) 1_555 1_555 yes N(23) C(24b) 1.43(3) 1_555 1_555 yes C(2a) C(2b) 0.85(2) 1_555 1_555 yes C(4a) C(4b) 0.69(2) 1_555 1_555 yes C(4a) C(5a) 1.37(2) 1_555 1_555 yes C(4a) C(7a) 1.52(2) 1_555 1_555 yes C(4a) C(7b) 1.53(3) 1_555 1_555 yes C(4b) C(5b) 1.38(3) 1_555 1_555 yes C(4b) C(7a) 1.37(3) 1_555 1_555 yes C(4b) C(7b) 1.66(4) 1_555 1_555 yes C(5a) C(6a) 1.44(2) 1_555 1_555 yes C(5b) C(6b) 1.38(4) 1_555 1_555 yes C(6a) C(8a) 1.47(2) 1_555 1_555 yes C(6a) C(26b) 1.03(2) 1_555 1_555 yes C(6a) C(28b) 1.17(3) 1_555 1_555 yes C(6b) C(8b) 1.55(4) 1_555 1_555 yes C(6b) C(26a) 1.29(3) 1_555 1_555 yes C(6b) C(28a) 1.15(3) 1_555 1_555 yes C(7a) C(7b) 0.64(3) 1_555 1_555 yes C(8a) C(25b) 1.74(3) 1_555 1_555 yes C(8a) C(26b) 0.87(2) 1_555 1_555 yes C(8a) C(28b) 1.16(3) 1_555 1_555 yes C(8b) C(26a) 1.04(3) 1_555 1_555 yes C(8b) C(28a) 0.90(3) 1_555 1_555 yes C(10) C(11) 1.40(1) 1_555 1_555 yes C(10) C(14) 1.43(1) 1_555 1_555 yes C(10) C(15) 1.51(1) 1_555 1_555 yes C(11) C(12) 1.42(1) 1_555 1_555 yes C(11) C(16) 1.49(1) 1_555 1_555 yes C(12) C(13) 1.41(1) 1_555 1_555 yes C(12) C(17) 1.50(1) 1_555 1_555 yes C(13) C(14) 1.42(1) 1_555 1_555 yes C(13) C(18) 1.51(1) 1_555 1_555 yes C(14) C(19) 1.51(1) 1_555 1_555 yes C(22a) C(22b) 0.98(2) 1_555 1_555 yes C(24a) C(24b) 0.88(3) 1_555 1_555 yes C(24a) C(25a) 1.39(2) 1_555 1_555 yes C(24a) C(27a) 1.59(3) 1_555 1_555 yes C(24a) C(27b) 1.42(3) 1_555 1_555 yes C(24b) C(25b) 1.37(3) 1_555 1_555 yes C(24b) C(27a) 1.38(3) 1_555 1_555 yes C(24b) C(27b) 1.58(4) 1_555 1_555 yes C(25a) C(26a) 1.40(2) 1_555 1_555 yes C(25b) C(26b) 1.34(3) 1_555 1_555 yes C(26a) C(28a) 1.49(2) 1_555 1_555 yes C(26b) C(28b) 1.50(4) 1_555 1_555 yes C(27a) C(27b) 0.63(3) 1_555 1_555 yes C(30) C(31) 1.33(2) 1_555 1_555 yes C(30) C(34) 1.46(2) 1_555 1_555 yes C(30) C(35) 1.47(2) 1_555 1_555 yes C(31) C(32) 1.33(2) 1_555 1_555 yes C(31) C(36) 1.45(2) 1_555 1_555 yes C(32) C(33) 1.36(2) 1_555 1_555 yes C(32) C(37) 1.59(2) 1_555 1_555 yes C(33) C(34) 1.42(2) 1_555 1_555 yes C(33) C(38) 1.53(2) 1_555 1_555 yes C(34) C(39) 1.52(2) 1_555 1_555 yes C(51) C(52) 1.39(5) 1_555 1_555 yes C(51) C(53) 1.69(4) 1_555 1_555 yes C(51) C(54) 1.27(4) 1_555 1_555 yes C(51) C(55) 1.72(4) 1_555 1_555 yes C(52) C(54) 1.25(6) 1_555 1_555 yes C(53) C(54) 0.72(5) 1_555 1_555 yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag S(1) Rh(1) S(2) 85.16(8) 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) 67.0(3) 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) 93.3(4) 1_555 1_555 1_555 yes S(1) Rh(1) C(10) 100.0(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(11) 99.7(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(12) 130.7(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(13) 163.2(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(14) 132.0(2) 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) 92.6(3) 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) 67.8(5) 1_555 1_555 1_555 yes S(2) Rh(1) C(10) 117.0(3) 1_555 1_555 1_555 yes S(2) Rh(1) C(11) 155.1(2) 1_555 1_555 1_555 yes S(2) Rh(1) C(12) 144.1(2) 1_555 1_555 1_555 yes S(2) Rh(1) C(13) 107.4(2) 1_555 1_555 1_555 yes S(2) Rh(1) C(14) 94.1(2) 1_555 1_555 1_555 yes N(1a) Rh(1) N(1b) 37.6(5) 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) 147.2(4) 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) 111.8(3) 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) 101.1(3) 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) 122.1(3) 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) 160.4(3) 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) 166.1(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) 135.5(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) 104.4(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) 101.7(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) 130.7(5) 1_555 1_555 1_555 yes C(10) Rh(1) C(11) 38.2(3) 1_555 1_555 1_555 yes C(10) Rh(1) C(12) 63.6(3) 1_555 1_555 1_555 yes C(10) Rh(1) C(13) 64.5(3) 1_555 1_555 1_555 yes C(10) Rh(1) C(14) 38.9(3) 1_555 1_555 1_555 yes C(11) Rh(1) C(12) 38.1(3) 1_555 1_555 1_555 yes C(11) Rh(1) C(13) 64.3(3) 1_555 1_555 1_555 yes C(11) Rh(1) C(14) 64.5(3) 1_555 1_555 1_555 yes C(12) Rh(1) C(13) 37.8(3) 1_555 1_555 1_555 yes C(12) Rh(1) C(14) 63.6(3) 1_555 1_555 1_555 yes C(13) Rh(1) C(14) 38.4(3) 1_555 1_555 1_555 yes S(1) Rh(2) S(2) 85.00(7) 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) 95.5(3) 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) 64.5(5) 1_555 1_555 1_555 yes S(1) Rh(2) C(30) 99.5(5) 1_555 1_555 1_555 yes S(1) Rh(2) C(31) 97.0(3) 1_555 1_555 1_555 yes S(1) Rh(2) C(32) 124.6(4) 1_555 1_555 1_555 yes S(1) Rh(2) C(33) 159.3(3) 1_555 1_555 1_555 yes S(1) Rh(2) C(34) 135.2(6) 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) 65.9(3) 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) 93.7(5) 1_555 1_555 1_555 yes S(2) Rh(2) C(30) 116.4(5) 1_555 1_555 1_555 yes S(2) Rh(2) C(31) 152.8(5) 1_555 1_555 1_555 yes S(2) Rh(2) C(32) 150.3(4) 1_555 1_555 1_555 yes S(2) Rh(2) C(33) 113.9(4) 1_555 1_555 1_555 yes S(2) Rh(2) C(34) 96.6(3) 1_555 1_555 1_555 yes N(21a) Rh(2) N(21b) 43.5(5) 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) 165.0(5) 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) 140.1(6) 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) 108.4(5) 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) 100.0(4) 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) 126.0(6) 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) 145.2(8) 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) 111.6(6) 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) 100.7(6) 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) 119.8(7) 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) 158.4(7) 1_555 1_555 1_555 yes C(30) Rh(2) C(31) 36.4(5) 1_555 1_555 1_555 yes C(30) Rh(2) C(32) 61.6(5) 1_555 1_555 1_555 yes C(30) Rh(2) C(33) 65.2(5) 1_555 1_555 1_555 yes C(30) Rh(2) C(34) 40.3(5) 1_555 1_555 1_555 yes C(31) Rh(2) C(32) 36.0(4) 1_555 1_555 1_555 yes C(31) Rh(2) C(33) 62.3(4) 1_555 1_555 1_555 yes C(31) Rh(2) C(34) 63.1(5) 1_555 1_555 1_555 yes C(32) Rh(2) C(33) 36.7(4) 1_555 1_555 1_555 yes C(32) Rh(2) C(34) 62.1(4) 1_555 1_555 1_555 yes C(33) Rh(2) C(34) 38.6(5) 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) 94.59(8) 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) 79.6(4) 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) 103.4(7) 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) 101.8(4) 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) 85.1(7) 1_555 1_555 1_555 yes C(2a) S(1) C(2b) 28.2(7) 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) 94.98(8) 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) 104.7(4) 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) 79.8(8) 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) 81.1(4) 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) 103.7(8) 1_555 1_555 1_555 yes C(22a) S(2) C(22b) 32.4(8) 1_555 1_555 1_555 yes F(1) P(1) F(2) 93.4(6) 1_555 1_555 1_555 yes F(1) P(1) F(3) 91.5(9) 1_555 1_555 1_555 yes F(1) P(1) F(4) 88.5(6) 1_555 1_555 1_555 yes F(1) P(1) F(5) 85.0(8) 1_555 1_555 1_555 yes F(1) P(1) F(6) 175.9(9) 1_555 1_555 1_555 yes F(2) P(1) F(3) 88.5(9) 1_555 1_555 1_555 yes F(2) P(1) F(4) 177.5(8) 1_555 1_555 1_555 yes F(2) P(1) F(5) 89.4(9) 1_555 1_555 1_555 yes F(2) P(1) F(6) 86.7(6) 1_555 1_555 1_555 yes F(3) P(1) F(4) 93.1(10) 1_555 1_555 1_555 yes F(3) P(1) F(5) 175(1) 1_555 1_555 1_555 yes F(3) P(1) F(6) 92.6(9) 1_555 1_555 1_555 yes F(4) P(1) F(5) 89.1(10) 1_555 1_555 1_555 yes F(4) P(1) F(6) 91.3(6) 1_555 1_555 1_555 yes F(5) P(1) F(6) 90.9(9) 1_555 1_555 1_555 yes F(7) P(2) F(8) 92.8(7) 1_555 1_555 1_555 yes F(7) P(2) F(9) 87.0(7) 1_555 1_555 1_555 yes F(7) P(2) F(10) 90.5(7) 1_555 1_555 1_555 yes F(7) P(2) F(11) 89.5(8) 1_555 1_555 1_555 yes F(7) P(2) F(12) 179.1(7) 1_555 1_555 1_555 yes F(8) P(2) F(9) 83.7(8) 1_555 1_555 1_555 yes F(8) P(2) F(10) 173.5(10) 1_555 1_555 1_555 yes F(8) P(2) F(11) 89.3(9) 1_555 1_555 1_555 yes F(8) P(2) F(12) 87.6(6) 1_555 1_555 1_555 yes F(9) P(2) F(10) 90.9(9) 1_555 1_555 1_555 yes F(9) P(2) F(11) 171(1) 1_555 1_555 1_555 yes F(9) P(2) F(12) 92.2(7) 1_555 1_555 1_555 yes F(10) P(2) F(11) 96(1) 1_555 1_555 1_555 yes F(10) P(2) F(12) 89.1(7) 1_555 1_555 1_555 yes F(11) P(2) F(12) 91.3(8) 1_555 1_555 1_555 yes O(52) O(51) C(51) 64(2) 1_555 1_555 1_555 yes O(52) O(51) C(52) 132(5) 1_555 1_555 1_555 yes C(51) O(51) C(52) 74(4) 1_555 1_555 1_555 yes O(51) O(52) O(53) 107(2) 1_555 1_555 1_555 yes O(51) O(52) C(51) 61(2) 1_555 1_555 1_555 yes O(53) O(52) C(51) 50(1) 1_555 1_555 1_555 yes O(52) O(53) C(51) 55(2) 1_555 1_555 1_555 yes O(52) O(53) C(55) 163(5) 1_555 1_555 1_555 yes C(51) O(53) C(55) 114(5) 1_555 1_555 1_555 yes Rh(1) N(1a) N(1b) 73.1(8) 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) 101.0(7) 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) 138.4(8) 1_555 1_555 1_555 yes N(1b) N(1a) C(2a) 135(1) 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) 77(1) 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) 120(1) 1_555 1_555 1_555 yes Rh(1) N(1b) N(1a) 69.3(8) 1_555 1_555 1_555 yes Rh(1) N(1b) C(6a) 113.5(10) 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) 101(1) 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) 139(1) 1_555 1_555 1_555 yes N(1a) N(1b) C(6a) 50.4(8) 1_555 1_555 1_555 yes N(1a) N(1b) C(22b) 133(1) 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) 86(1) 1_555 1_555 1_555 yes C(6a) N(1b) C(22b) 138(1) 1_555 1_555 1_555 yes C(6a) N(1b) C(26b) 36(1) 1_555 1_555 1_555 yes C(22b) N(1b) C(26b) 118(1) 1_555 1_555 1_555 yes C(2a) N(3) C(2b) 38(1) 1_555 1_555 1_555 yes C(2a) N(3) C(4a) 119.0(10) 1_555 1_555 1_555 yes C(2a) N(3) C(4b) 134(1) 1_555 1_555 1_555 yes C(2b) N(3) C(4a) 135(1) 1_555 1_555 1_555 yes C(2b) N(3) C(4b) 126(1) 1_555 1_555 1_555 yes C(4a) N(3) C(4b) 30(1) 1_555 1_555 1_555 yes Rh(2) N(21a) N(21b) 70.5(8) 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) 103.4(8) 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) 136.9(10) 1_555 1_555 1_555 yes N(21b) N(21a) C(22a) 129(1) 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) 81(1) 1_555 1_555 1_555 yes C(22a) N(21a) C(26a) 119(1) 1_555 1_555 1_555 yes Rh(2) N(21b) N(21a) 66.0(7) 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) 105(1) 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) 139(1) 1_555 1_555 1_555 yes N(21a) N(21b) C(2b) 136(1) 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) 85(1) 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) 114(1) 1_555 1_555 1_555 yes C(22a) N(23) C(22b) 44(1) 1_555 1_555 1_555 yes C(22a) N(23) C(24a) 119(1) 1_555 1_555 1_555 yes C(22a) N(23) C(24b) 133(1) 1_555 1_555 1_555 yes C(22b) N(23) C(24a) 134(1) 1_555 1_555 1_555 yes C(22b) N(23) C(24b) 114(1) 1_555 1_555 1_555 yes C(24a) N(23) C(24b) 37(1) 1_555 1_555 1_555 yes S(1) C(2a) N(1a) 112.2(9) 1_555 1_555 1_555 yes S(1) C(2a) N(3) 124.0(9) 1_555 1_555 1_555 yes S(1) C(2a) C(2b) 79(1) 1_555 1_555 1_555 yes N(1a) C(2a) N(3) 123(1) 1_555 1_555 1_555 yes N(1a) C(2a) C(2b) 143(2) 1_555 1_555 1_555 yes N(3) C(2a) C(2b) 59(1) 1_555 1_555 1_555 yes S(1) C(2b) N(3) 133(1) 1_555 1_555 1_555 yes S(1) C(2b) N(21b) 104(1) 1_555 1_555 1_555 yes S(1) C(2b) C(2a) 72(1) 1_555 1_555 1_555 yes N(3) C(2b) N(21b) 122(2) 1_555 1_555 1_555 yes N(3) C(2b) C(2a) 81(2) 1_555 1_555 1_555 yes N(21b) C(2b) C(2a) 124(2) 1_555 1_555 1_555 yes N(3) C(4a) C(4b) 70(2) 1_555 1_555 1_555 yes N(3) C(4a) C(5a) 120(1) 1_555 1_555 1_555 yes N(3) C(4a) C(7a) 115(1) 1_555 1_555 1_555 yes N(3) C(4a) C(7b) 128(1) 1_555 1_555 1_555 yes C(4b) C(4a) C(5a) 137(3) 1_555 1_555 1_555 yes C(4b) C(4a) C(7a) 64(2) 1_555 1_555 1_555 yes C(4b) C(4a) C(7b) 88(2) 1_555 1_555 1_555 yes C(5a) C(4a) C(7a) 123(1) 1_555 1_555 1_555 yes C(5a) C(4a) C(7b) 107(1) 1_555 1_555 1_555 yes C(7a) C(4a) C(7b) 24(1) 1_555 1_555 1_555 yes N(3) C(4b) C(4a) 79(2) 1_555 1_555 1_555 yes N(3) C(4b) C(5b) 122(2) 1_555 1_555 1_555 yes N(3) C(4b) C(7a) 132(2) 1_555 1_555 1_555 yes N(3) C(4b) C(7b) 122(2) 1_555 1_555 1_555 yes C(4a) C(4b) C(5b) 125(3) 1_555 1_555 1_555 yes C(4a) C(4b) C(7a) 88(2) 1_555 1_555 1_555 yes C(4a) C(4b) C(7b) 66(2) 1_555 1_555 1_555 yes C(5b) C(4b) C(7a) 102(2) 1_555 1_555 1_555 yes C(5b) C(4b) C(7b) 115(2) 1_555 1_555 1_555 yes C(7a) C(4b) C(7b) 21(1) 1_555 1_555 1_555 yes C(4a) C(5a) C(6a) 120(1) 1_555 1_555 1_555 yes C(4b) C(5b) C(6b) 112(2) 1_555 1_555 1_555 yes N(1a) C(6a) N(1b) 51.9(8) 1_555 1_555 1_555 yes N(1a) C(6a) C(5a) 116(1) 1_555 1_555 1_555 yes N(1a) C(6a) C(8a) 120(1) 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) 106(1) 1_555 1_555 1_555 yes N(1a) C(6a) C(28b) 120(1) 1_555 1_555 1_555 yes N(1b) C(6a) C(5a) 144(1) 1_555 1_555 1_555 yes N(1b) C(6a) C(8a) 78(1) 1_555 1_555 1_555 yes N(1b) C(6a) C(26b) 54(1) 1_555 1_555 1_555 yes N(1b) C(6a) C(28b) 115(1) 1_555 1_555 1_555 yes C(5a) C(6a) C(8a) 123(1) 1_555 1_555 1_555 yes C(5a) C(6a) C(26b) 125(1) 1_555 1_555 1_555 yes C(5a) C(6a) C(28b) 99(1) 1_555 1_555 1_555 yes C(8a) C(6a) C(26b) 35(1) 1_555 1_555 1_555 yes C(8a) C(6a) C(28b) 50(1) 1_555 1_555 1_555 yes C(26b) C(6a) C(28b) 85(2) 1_555 1_555 1_555 yes N(21b) C(6b) C(5b) 121(2) 1_555 1_555 1_555 yes N(21b) C(6b) C(8b) 116(2) 1_555 1_555 1_555 yes N(21b) C(6b) C(26a) 91(2) 1_555 1_555 1_555 yes N(21b) C(6b) C(28a) 115(2) 1_555 1_555 1_555 yes C(5b) C(6b) C(8b) 122(2) 1_555 1_555 1_555 yes C(5b) C(6b) C(26a) 130(2) 1_555 1_555 1_555 yes C(5b) C(6b) C(28a) 114(2) 1_555 1_555 1_555 yes C(8b) C(6b) C(26a) 41(1) 1_555 1_555 1_555 yes C(8b) C(6b) C(28a) 35(1) 1_555 1_555 1_555 yes C(26a) C(6b) C(28a) 74(1) 1_555 1_555 1_555 yes C(4a) C(7a) C(4b) 26(1) 1_555 1_555 1_555 yes C(4a) C(7a) C(7b) 78(4) 1_555 1_555 1_555 yes C(4b) C(7a) C(7b) 105(4) 1_555 1_555 1_555 yes C(4a) C(7b) C(4b) 24(1) 1_555 1_555 1_555 yes C(4a) C(7b) C(7a) 77(4) 1_555 1_555 1_555 yes C(4b) C(7b) C(7a) 52(3) 1_555 1_555 1_555 yes C(6a) C(8a) C(25b) 81(1) 1_555 1_555 1_555 yes C(6a) C(8a) C(26b) 43(1) 1_555 1_555 1_555 yes C(6a) C(8a) C(28b) 51(1) 1_555 1_555 1_555 yes C(25b) C(8a) C(26b) 48(2) 1_555 1_555 1_555 yes C(25b) C(8a) C(28b) 121(2) 1_555 1_555 1_555 yes C(26b) C(8a) C(28b) 94(2) 1_555 1_555 1_555 yes C(6b) C(8b) C(26a) 55(1) 1_555 1_555 1_555 yes C(6b) C(8b) C(28a) 47(2) 1_555 1_555 1_555 yes C(26a) C(8b) C(28a) 100(3) 1_555 1_555 1_555 yes Rh(1) C(10) C(11) 71.6(5) 1_555 1_555 1_555 yes Rh(1) C(10) C(14) 71.5(5) 1_555 1_555 1_555 yes Rh(1) C(10) C(15) 128.8(6) 1_555 1_555 1_555 yes C(11) C(10) C(14) 108.5(7) 1_555 1_555 1_555 yes C(11) C(10) C(15) 125.5(9) 1_555 1_555 1_555 yes C(14) C(10) C(15) 125.6(9) 1_555 1_555 1_555 yes Rh(1) C(11) C(10) 70.3(5) 1_555 1_555 1_555 yes Rh(1) C(11) C(12) 72.1(5) 1_555 1_555 1_555 yes Rh(1) C(11) C(16) 126.5(6) 1_555 1_555 1_555 yes C(10) C(11) C(12) 107.7(7) 1_555 1_555 1_555 yes C(10) C(11) C(16) 127.0(9) 1_555 1_555 1_555 yes C(12) C(11) C(16) 125.1(9) 1_555 1_555 1_555 yes Rh(1) C(12) C(11) 69.8(5) 1_555 1_555 1_555 yes Rh(1) C(12) C(13) 70.3(5) 1_555 1_555 1_555 yes Rh(1) C(12) C(17) 130.7(6) 1_555 1_555 1_555 yes C(11) C(12) C(13) 108.7(7) 1_555 1_555 1_555 yes C(11) C(12) C(17) 124.2(8) 1_555 1_555 1_555 yes C(13) C(12) C(17) 126.8(8) 1_555 1_555 1_555 yes Rh(1) C(13) C(12) 71.9(5) 1_555 1_555 1_555 yes Rh(1) C(13) C(14) 70.9(5) 1_555 1_555 1_555 yes Rh(1) C(13) C(18) 127.6(6) 1_555 1_555 1_555 yes C(12) C(13) C(14) 108.0(7) 1_555 1_555 1_555 yes C(12) C(13) C(18) 127.1(8) 1_555 1_555 1_555 yes C(14) C(13) C(18) 124.7(8) 1_555 1_555 1_555 yes Rh(1) C(14) C(10) 69.6(4) 1_555 1_555 1_555 yes Rh(1) C(14) C(13) 70.8(4) 1_555 1_555 1_555 yes Rh(1) C(14) C(19) 126.9(6) 1_555 1_555 1_555 yes C(10) C(14) C(13) 107.1(7) 1_555 1_555 1_555 yes C(10) C(14) C(19) 126.2(8) 1_555 1_555 1_555 yes C(13) C(14) C(19) 126.7(8) 1_555 1_555 1_555 yes C(10) C(15) H(1) 109.5(9) 1_555 1_555 1_555 no C(10) C(15) H(2) 109.5(10) 1_555 1_555 1_555 no C(10) C(15) H(3) 109.5(10) 1_555 1_555 1_555 no H(1) C(15) H(2) 109(1) 1_555 1_555 1_555 no H(1) C(15) H(3) 109(1) 1_555 1_555 1_555 no H(2) C(15) H(3) 109(1) 1_555 1_555 1_555 no C(11) C(16) H(4) 109.5(8) 1_555 1_555 1_555 no C(11) C(16) H(5) 109.5(10) 1_555 1_555 1_555 no C(11) C(16) H(6) 109.5(9) 1_555 1_555 1_555 no H(4) C(16) H(5) 109(1) 1_555 1_555 1_555 no H(4) C(16) H(6) 109(1) 1_555 1_555 1_555 no H(5) C(16) H(6) 109.5(10) 1_555 1_555 1_555 no C(12) C(17) H(7) 109.5(9) 1_555 1_555 1_555 no C(12) C(17) H(8) 109.5(9) 1_555 1_555 1_555 no C(12) C(17) H(9) 109.5(9) 1_555 1_555 1_555 no H(7) C(17) H(8) 109(1) 1_555 1_555 1_555 no H(7) C(17) H(9) 109(1) 1_555 1_555 1_555 no H(8) C(17) H(9) 109(1) 1_555 1_555 1_555 no C(13) C(18) H(10) 109.5(9) 1_555 1_555 1_555 no C(13) C(18) H(11) 109.5(9) 1_555 1_555 1_555 no C(13) C(18) H(12) 109.5(9) 1_555 1_555 1_555 no H(10) C(18) H(11) 109.5(10) 1_555 1_555 1_555 no H(10) C(18) H(12) 109(1) 1_555 1_555 1_555 no H(11) C(18) H(12) 109(1) 1_555 1_555 1_555 no C(14) C(19) H(13) 109.5(9) 1_555 1_555 1_555 no C(14) C(19) H(14) 109.5(8) 1_555 1_555 1_555 no C(14) C(19) H(15) 109.5(9) 1_555 1_555 1_555 no H(13) C(19) H(14) 109.5(10) 1_555 1_555 1_555 no H(13) C(19) H(15) 109.5(10) 1_555 1_555 1_555 no H(14) C(19) H(15) 109(1) 1_555 1_555 1_555 no S(2) C(22a) N(21a) 109.5(10) 1_555 1_555 1_555 yes S(2) C(22a) N(23) 125.9(10) 1_555 1_555 1_555 yes S(2) C(22a) C(22b) 78(1) 1_555 1_555 1_555 yes N(21a) C(22a) N(23) 124(1) 1_555 1_555 1_555 yes N(21a) C(22a) C(22b) 132(1) 1_555 1_555 1_555 yes N(23) C(22a) C(22b) 66(1) 1_555 1_555 1_555 yes S(2) C(22b) N(1b) 110(1) 1_555 1_555 1_555 yes S(2) C(22b) N(23) 121(1) 1_555 1_555 1_555 yes S(2) C(22b) C(22a) 69(1) 1_555 1_555 1_555 yes N(1b) C(22b) N(23) 127(2) 1_555 1_555 1_555 yes N(1b) C(22b) C(22a) 137(2) 1_555 1_555 1_555 yes N(23) C(22b) C(22a) 68(1) 1_555 1_555 1_555 yes N(23) C(24a) C(24b) 80(2) 1_555 1_555 1_555 yes N(23) C(24a) C(25a) 119(1) 1_555 1_555 1_555 yes N(23) C(24a) C(27a) 116(1) 1_555 1_555 1_555 yes N(23) C(24a) C(27b) 129(1) 1_555 1_555 1_555 yes C(24b) C(24a) C(25a) 124(2) 1_555 1_555 1_555 yes C(24b) C(24a) C(27a) 60(2) 1_555 1_555 1_555 yes C(24b) C(24a) C(27b) 83(2) 1_555 1_555 1_555 yes C(25a) C(24a) C(27a) 123(1) 1_555 1_555 1_555 yes C(25a) C(24a) C(27b) 109(1) 1_555 1_555 1_555 yes C(27a) C(24a) C(27b) 23(1) 1_555 1_555 1_555 yes N(23) C(24b) C(24a) 62(2) 1_555 1_555 1_555 yes N(23) C(24b) C(25b) 119(2) 1_555 1_555 1_555 yes N(23) C(24b) C(27a) 121(2) 1_555 1_555 1_555 yes N(23) C(24b) C(27b) 108(2) 1_555 1_555 1_555 yes C(24a) C(24b) C(25b) 143(3) 1_555 1_555 1_555 yes C(24a) C(24b) C(27a) 86(2) 1_555 1_555 1_555 yes C(24a) C(24b) C(27b) 63(2) 1_555 1_555 1_555 yes C(25b) C(24b) C(27a) 114(2) 1_555 1_555 1_555 yes C(25b) C(24b) C(27b) 131(2) 1_555 1_555 1_555 yes C(27a) C(24b) C(27b) 23(1) 1_555 1_555 1_555 yes C(24a) C(25a) C(26a) 121(1) 1_555 1_555 1_555 yes C(8a) C(25b) C(24b) 137(2) 1_555 1_555 1_555 yes C(8a) C(25b) C(26b) 29(1) 1_555 1_555 1_555 yes C(24b) C(25b) C(26b) 121(2) 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) 101(1) 1_555 1_555 1_555 yes N(21a) C(26a) C(8b) 134(2) 1_555 1_555 1_555 yes N(21a) C(26a) C(25a) 114(1) 1_555 1_555 1_555 yes N(21a) C(26a) C(28a) 120(1) 1_555 1_555 1_555 yes C(6b) C(26a) C(8b) 82(2) 1_555 1_555 1_555 yes C(6b) C(26a) C(25a) 119(1) 1_555 1_555 1_555 yes C(6b) C(26a) C(28a) 48(1) 1_555 1_555 1_555 yes C(8b) C(26a) C(25a) 100(2) 1_555 1_555 1_555 yes C(8b) C(26a) C(28a) 36(1) 1_555 1_555 1_555 yes C(25a) C(26a) C(28a) 124(1) 1_555 1_555 1_555 yes N(1b) C(26b) C(6a) 88(2) 1_555 1_555 1_555 yes N(1b) C(26b) C(8a) 123(2) 1_555 1_555 1_555 yes N(1b) C(26b) C(25b) 117(2) 1_555 1_555 1_555 yes N(1b) C(26b) C(28b) 115(2) 1_555 1_555 1_555 yes C(6a) C(26b) C(8a) 101(2) 1_555 1_555 1_555 yes C(6a) C(26b) C(25b) 124(2) 1_555 1_555 1_555 yes C(6a) C(26b) C(28b) 51(1) 1_555 1_555 1_555 yes C(8a) C(26b) C(25b) 101(2) 1_555 1_555 1_555 yes C(8a) C(26b) C(28b) 50(1) 1_555 1_555 1_555 yes C(25b) C(26b) C(28b) 126(2) 1_555 1_555 1_555 yes C(24a) C(27a) C(24b) 33(1) 1_555 1_555 1_555 yes C(24a) C(27a) C(27b) 63(3) 1_555 1_555 1_555 yes C(24b) C(27a) C(27b) 96(3) 1_555 1_555 1_555 yes C(24a) C(27b) C(24b) 33(1) 1_555 1_555 1_555 yes C(24a) C(27b) C(27a) 93(3) 1_555 1_555 1_555 yes C(24b) C(27b) C(27a) 60(3) 1_555 1_555 1_555 yes C(6b) C(28a) C(8b) 97(2) 1_555 1_555 1_555 yes C(6b) C(28a) C(26a) 56(1) 1_555 1_555 1_555 yes C(8b) C(28a) C(26a) 43(2) 1_555 1_555 1_555 yes C(6a) C(28b) C(8a) 78(1) 1_555 1_555 1_555 yes C(6a) C(28b) C(26b) 43(1) 1_555 1_555 1_555 yes C(8a) C(28b) C(26b) 35(1) 1_555 1_555 1_555 yes Rh(2) C(30) C(31) 73.6(7) 1_555 1_555 1_555 yes Rh(2) C(30) C(34) 70.4(6) 1_555 1_555 1_555 yes Rh(2) C(30) C(35) 126.8(10) 1_555 1_555 1_555 yes C(31) C(30) C(34) 106(1) 1_555 1_555 1_555 yes C(31) C(30) C(35) 129(2) 1_555 1_555 1_555 yes C(34) C(30) C(35) 123(2) 1_555 1_555 1_555 yes Rh(2) C(31) C(30) 70.0(7) 1_555 1_555 1_555 yes Rh(2) C(31) C(32) 72.2(6) 1_555 1_555 1_555 yes Rh(2) C(31) C(36) 127.3(10) 1_555 1_555 1_555 yes C(30) C(31) C(32) 110(1) 1_555 1_555 1_555 yes C(30) C(31) C(36) 124(2) 1_555 1_555 1_555 yes C(32) C(31) C(36) 125(2) 1_555 1_555 1_555 yes Rh(2) C(32) C(31) 71.8(7) 1_555 1_555 1_555 yes Rh(2) C(32) C(33) 71.8(6) 1_555 1_555 1_555 yes Rh(2) C(32) C(37) 128.3(9) 1_555 1_555 1_555 yes C(31) C(32) C(33) 111(1) 1_555 1_555 1_555 yes C(31) C(32) C(37) 123(1) 1_555 1_555 1_555 yes C(33) C(32) C(37) 124(1) 1_555 1_555 1_555 yes Rh(2) C(33) C(32) 71.5(6) 1_555 1_555 1_555 yes Rh(2) C(33) C(34) 69.2(6) 1_555 1_555 1_555 yes Rh(2) C(33) C(38) 127.3(9) 1_555 1_555 1_555 yes C(32) C(33) C(34) 105(1) 1_555 1_555 1_555 yes C(32) C(33) C(38) 131(1) 1_555 1_555 1_555 yes C(34) C(33) C(38) 123(1) 1_555 1_555 1_555 yes Rh(2) C(34) C(30) 69.3(6) 1_555 1_555 1_555 yes Rh(2) C(34) C(33) 72.1(6) 1_555 1_555 1_555 yes Rh(2) C(34) C(39) 126.5(9) 1_555 1_555 1_555 yes C(30) C(34) C(33) 106(1) 1_555 1_555 1_555 yes C(30) C(34) C(39) 133(2) 1_555 1_555 1_555 yes C(33) C(34) C(39) 120(2) 1_555 1_555 1_555 yes C(30) C(35) H(16) 109(2) 1_555 1_555 1_555 no C(30) C(35) H(17) 109(1) 1_555 1_555 1_555 no C(30) C(35) H(18) 109(1) 1_555 1_555 1_555 no H(16) C(35) H(17) 109(2) 1_555 1_555 1_555 no H(16) C(35) H(18) 109(2) 1_555 1_555 1_555 no H(17) C(35) H(18) 109(3) 1_555 1_555 1_555 no C(31) C(36) H(19) 109(1) 1_555 1_555 1_555 no C(31) C(36) H(20) 109(1) 1_555 1_555 1_555 no C(31) C(36) H(21) 109(2) 1_555 1_555 1_555 no H(19) C(36) H(20) 109(2) 1_555 1_555 1_555 no H(19) C(36) H(21) 109(1) 1_555 1_555 1_555 no H(20) C(36) H(21) 109(1) 1_555 1_555 1_555 no C(32) C(37) H(22) 109(1) 1_555 1_555 1_555 no C(32) C(37) H(23) 109(1) 1_555 1_555 1_555 no C(32) C(37) H(24) 109(1) 1_555 1_555 1_555 no H(22) C(37) H(23) 109(1) 1_555 1_555 1_555 no H(22) C(37) H(24) 109(2) 1_555 1_555 1_555 no H(23) C(37) H(24) 109(2) 1_555 1_555 1_555 no C(33) C(38) H(25) 109(1) 1_555 1_555 1_555 no C(33) C(38) H(26) 109(1) 1_555 1_555 1_555 no C(33) C(38) H(27) 109(2) 1_555 1_555 1_555 no H(25) C(38) H(26) 109(2) 1_555 1_555 1_555 no H(25) C(38) H(27) 109(1) 1_555 1_555 1_555 no H(26) C(38) H(27) 109(1) 1_555 1_555 1_555 no C(34) C(39) H(28) 109(2) 1_555 1_555 1_555 no C(34) C(39) H(29) 109(1) 1_555 1_555 1_555 no C(34) C(39) H(30) 109(1) 1_555 1_555 1_555 no H(28) C(39) H(29) 109(1) 1_555 1_555 1_555 no H(28) C(39) H(30) 109(1) 1_555 1_555 1_555 no H(29) C(39) H(30) 109(3) 1_555 1_555 1_555 no O(51) C(51) O(52) 54(1) 1_555 1_555 1_555 yes O(51) C(51) O(53) 123(3) 1_555 1_555 1_555 yes O(51) C(51) C(52) 41(2) 1_555 1_555 1_555 yes O(51) C(51) C(53) 119(2) 1_555 1_555 1_555 yes O(51) C(51) C(54) 95(3) 1_555 1_555 1_555 yes O(51) C(51) C(55) 140(2) 1_555 1_555 1_555 yes O(52) C(51) O(53) 73(2) 1_555 1_555 1_555 yes O(52) C(51) C(52) 93(3) 1_555 1_555 1_555 yes O(52) C(51) C(53) 149(2) 1_555 1_555 1_555 yes O(52) C(51) C(54) 134(3) 1_555 1_555 1_555 yes O(52) C(51) C(55) 97(2) 1_555 1_555 1_555 yes O(53) C(51) C(52) 164(4) 1_555 1_555 1_555 yes O(53) C(51) C(53) 117(2) 1_555 1_555 1_555 yes O(53) C(51) C(54) 140(3) 1_555 1_555 1_555 yes O(53) C(51) C(55) 24(2) 1_555 1_555 1_555 yes C(52) C(51) C(53) 78(3) 1_555 1_555 1_555 yes C(52) C(51) C(54) 55(2) 1_555 1_555 1_555 yes C(52) C(51) C(55) 161(2) 1_555 1_555 1_555 yes C(53) C(51) C(54) 23(2) 1_555 1_555 1_555 yes C(53) C(51) C(55) 99(2) 1_555 1_555 1_555 yes C(54) C(51) C(55) 122(3) 1_555 1_555 1_555 yes O(51) C(52) C(51) 64(3) 1_555 1_555 1_555 yes O(51) C(52) C(54) 119(6) 1_555 1_555 1_555 yes C(51) C(52) C(54) 57(3) 1_555 1_555 1_555 yes C(51) C(53) C(54) 43(4) 1_555 1_555 1_555 yes C(51) C(54) C(52) 67(3) 1_555 1_555 1_555 yes C(51) C(54) C(53) 112(6) 1_555 1_555 1_555 yes C(52) C(54) C(53) 167(7) 1_555 1_555 1_555 yes O(53) C(55) C(51) 41(3) 1_555 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Rh(1) S(1) Rh(2) S(2) -3.89(7) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) N(21a) -69.1(3) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) N(21b) -100.5(5) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(30) 112.1(6) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(31) 148.9(5) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(32) 174.1(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(33) 152(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(34) 90.4(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) N(1a) 3.7(8) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) N(3) -170(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) C(2b) 147(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) N(3) -92(2) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) N(21b) 89(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) C(2a) -32(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) S(1) 3.92(7) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) N(21a) 102.3(3) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) N(21b) 67.9(5) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(30) -94.2(5) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(31) -91.7(7) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(32) -172.7(7) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(33) -167.2(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(34) -131.1(6) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) N(21a) -90.0(9) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) N(23) 90(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) C(22b) 41(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) N(1b) -5(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) N(23) 172(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) C(22a) -139(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) N(1b) C(6a) -150.1(8) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) N(1b) C(22b) 85(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) N(1b) C(26b) -146(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) S(1) -4.3(9) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) N(3) 170.4(9) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) C(2b) -106(3) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) N(1b) 45(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) C(5a) -174.1(9) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) C(8a) 5(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) C(26b) 41(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) C(28b) -53(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) N(1a) C(2a) -88(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) N(1a) C(6a) 150.1(8) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(6a) N(1a) -30.6(8) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(6a) C(5a) -112(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(6a) C(8a) 114(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(6a) C(26b) 143(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(6a) C(28b) 79(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) S(2) 6(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) N(23) -172(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) C(22a) 87(3) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) C(6a) -56(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) C(8a) 46(4) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) C(25b) 174(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) C(28b) -11(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(11) C(12) -62.7(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(11) C(16) 121.4(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(14) C(13) 61.2(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(14) C(19) -121.4(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(10) C(14) 62.4(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(10) C(15) -125.0(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(12) C(13) -59.8(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(12) C(17) 126.1(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(11) C(10) 61.6(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(11) C(16) -122.5(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(13) C(14) -62.0(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(13) C(18) 123.9(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(12) C(11) 59.5(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(12) C(17) -126.6(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(14) C(10) -60.4(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(14) C(19) 122.2(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(10) C(11) -62.4(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(10) C(15) 125.0(9) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(13) C(12) 62.7(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(13) C(18) -123.1(9) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) S(2) 3.91(7) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) N(1a) 98.8(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) N(1b) 71.3(5) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(10) -112.7(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(11) -151.5(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(12) -176.4(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(13) -135.2(8) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(14) -87.3(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) N(1a) -88.8(9) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) N(3) 96.5(10) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) C(2b) 54(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) N(3) 173(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) N(21b) -3(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) C(2a) -126(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) S(1) -3.91(7) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) N(1a) -70.5(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) N(1b) -99.5(5) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(10) 94.9(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(11) 98.7(6) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(12) 176.5(4) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(13) 164.7(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(14) 127.9(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) N(21a) 2.9(8) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) N(23) -176(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) C(22b) 133(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) N(1b) 86(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) N(23) -94(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) C(22a) -47(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) N(21b) C(2b) 87(2) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) N(21b) C(6b) -150(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) S(2) -3.3(10) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) N(23) 176(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) C(22b) -95(2) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) C(6b) 53(2) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) C(8b) -37(3) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) C(25a) -176(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) C(28a) 5(2) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) N(21a) C(22a) -91(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) N(21a) C(26a) 146.7(9) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) S(1) 4(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) N(3) -173(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) C(2a) 83(3) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) C(5b) 178(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) C(8b) -5(3) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) C(26a) -40(3) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) C(28a) 33(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(31) C(32) 61.3(9) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(31) C(36) -122(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(34) C(33) -63.2(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(34) C(39) 121(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(30) C(34) -63.1(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(30) C(35) 124(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(32) C(33) 60.8(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(32) C(37) -124(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(31) C(30) -60.0(9) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(31) C(36) 123(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(33) C(34) 61.3(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(33) C(38) -123(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(32) C(31) -60.8(9) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(32) C(37) 124(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(34) C(30) 61.3(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(34) C(39) -122(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(30) C(31) 65.3(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(30) C(35) -121(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(33) C(32) -62.9(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(33) C(38) 121(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) S(2) C(22a) 78.2(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) S(2) C(22b) 99.1(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) N(1b) -130.9(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) C(2a) 3.0(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) C(6a) -178(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) N(1a) 44.2(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) C(6a) 68.9(10) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) C(22b) -88(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) C(26b) 101(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(11) -92.9(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(14) 149.5(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(15) 28.3(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(11) C(10) 94.0(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(11) C(12) -148.9(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(11) C(16) -28.0(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(12) C(11) 42.3(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(12) C(13) 161.9(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(12) C(17) -76.0(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(13) C(12) -54(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(13) C(14) 62(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(13) C(18) -177.7(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(14) C(10) -42.3(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(14) C(13) -159.8(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(14) C(19) 78.2(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) S(2) C(22a) -100.2(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) S(2) C(22b) -76.8(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) N(21b) -43.1(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) C(22a) 84.4(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) C(26a) -95(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) N(21a) 131.1(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) C(2b) -3(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) C(6b) -179(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(30) C(31) 89.0(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(30) C(34) -156.3(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(30) C(35) -38(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(31) C(30) -96.5(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(31) C(32) 143.5(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(31) C(36) 22(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(32) C(31) -45.9(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(32) C(33) -167.4(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(32) C(37) 72(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(33) C(32) 30(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(33) C(34) -84(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(33) C(38) 158(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(34) C(30) 34.2(10) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(34) C(33) 149.9(7) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(34) C(39) -94(2) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(1a) N(1b) 72(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(1a) C(6a) 176.6(9) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(3) C(2b) -48(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(3) C(4a) -177.3(10) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(3) C(4b) -144(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) C(2b) N(3) 140(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) C(2b) N(21b) -95(2) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(3) C(2a) 56(2) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(3) C(4a) 136(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(3) C(4b) 175(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(21b) N(21a) -67(2) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(21b) C(6b) -178(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) C(2a) N(1a) 112(3) 1_555 1_555 1_555 1_555 yes S(1) C(2b) C(2a) N(3) -140(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) S(1) C(2a) -97.2(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) S(1) C(2b) -82.1(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) N(1b) -47.3(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) C(2a) 86.6(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) C(6a) -94(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) N(1a) 127.6(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) C(6a) 152(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) C(22b) -4(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) C(26b) -174(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(10) C(11) 177.5(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(10) C(14) 59.8(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(10) C(15) -61.4(10) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(11) C(10) -5.4(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(11) C(12) 111.7(6) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(11) C(16) -127.4(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(12) C(11) -138.2(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(12) C(13) -18.6(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(12) C(17) 103.5(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(13) C(12) 168.7(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(13) C(14) -74.1(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(13) C(18) 45.4(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(14) C(10) -129.5(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(14) C(13) 113.1(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(14) C(19) -8.9(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) S(1) C(2a) 76.4(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) S(1) C(2b) 99.2(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) N(21b) -125.1(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) C(22a) 2.4(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) C(26a) -177(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) N(21a) 48.5(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) C(2b) -86(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) C(6b) 97(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(31) 178.1(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(34) -67.2(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(35) 50(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(31) C(30) -3(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(31) C(32) -123.9(10) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(31) C(36) 115(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(32) C(31) 129(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(32) C(33) 8(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(32) C(37) -111(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(33) C(32) -175.4(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(33) C(34) 69.4(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(33) C(38) -47(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(34) C(30) 123.8(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(34) C(33) -120.5(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(34) C(39) -5(2) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(21a) N(21b) 72(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(21a) C(26a) 176(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(23) C(22b) -54(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(23) C(24a) -178(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(23) C(24b) -135(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) C(22b) N(1b) -98(3) 1_555 1_555 1_555 1_555 yes S(2) C(22a) C(22b) N(23) 137.8(10) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(1b) N(1a) -65(2) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(1b) C(6a) -140(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(1b) C(26b) 179(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(23) C(22a) 47(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(23) C(24a) 136(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(23) C(24b) 175(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) C(22a) N(21a) 105(2) 1_555 1_555 1_555 1_555 yes S(2) C(22b) C(22a) N(23) -137.8(10) 1_555 1_555 1_555 1_555 yes O(51) O(52) O(53) C(51) -22(2) 1_555 1_555 1_555 1_555 yes O(51) O(52) O(53) C(55) 32(21) 1_555 1_555 1_555 1_555 yes O(51) O(52) C(51) O(53) 154(3) 1_555 1_555 1_555 1_555 yes O(51) O(52) C(51) C(52) -15(3) 1_555 1_555 1_555 1_555 yes O(51) O(52) C(51) C(53) -88(5) 1_555 1_555 1_555 1_555 yes O(51) O(52) C(51) C(54) -58(4) 1_555 1_555 1_555 1_555 yes O(51) O(52) C(51) C(55) 148(2) 1_555 1_555 1_555 1_555 yes O(51) C(51) O(52) O(53) -154(3) 1_555 1_555 1_555 1_555 yes O(51) C(51) O(53) O(52) 24(2) 1_555 1_555 1_555 1_555 yes O(51) C(51) O(53) C(55) -140(5) 1_555 1_555 1_555 1_555 yes O(51) C(51) C(52) C(54) -164(5) 1_555 1_555 1_555 1_555 yes O(51) C(51) C(53) C(54) -3(7) 1_555 1_555 1_555 1_555 yes O(51) C(51) C(54) C(52) 10(3) 1_555 1_555 1_555 1_555 yes O(51) C(51) C(54) C(53) 176(6) 1_555 1_555 1_555 1_555 yes O(51) C(51) C(55) O(53) 55(7) 1_555 1_555 1_555 1_555 yes O(51) C(52) C(51) O(52) 19(4) 1_555 1_555 1_555 1_555 yes O(51) C(52) C(51) O(53) -15(13) 1_555 1_555 1_555 1_555 yes O(51) C(52) C(51) C(53) 169(4) 1_555 1_555 1_555 1_555 yes O(51) C(52) C(51) C(54) 164(5) 1_555 1_555 1_555 1_555 yes O(51) C(52) C(51) C(55) -105(11) 1_555 1_555 1_555 1_555 yes O(51) C(52) C(54) C(51) -16(6) 1_555 1_555 1_555 1_555 yes O(51) C(52) C(54) C(53) -108(36) 1_555 1_555 1_555 1_555 yes O(52) O(51) C(51) O(53) -29(3) 1_555 1_555 1_555 1_555 yes O(52) O(51) C(51) C(52) 155(5) 1_555 1_555 1_555 1_555 yes O(52) O(51) C(51) C(53) 144(2) 1_555 1_555 1_555 1_555 yes O(52) O(51) C(51) C(54) 142(2) 1_555 1_555 1_555 1_555 yes O(52) O(51) C(51) C(55) -53(4) 1_555 1_555 1_555 1_555 yes O(52) O(51) C(52) C(51) -30(5) 1_555 1_555 1_555 1_555 yes O(52) O(51) C(52) C(54) -15(10) 1_555 1_555 1_555 1_555 yes O(52) O(53) C(51) C(52) 36(11) 1_555 1_555 1_555 1_555 yes O(52) O(53) C(51) C(53) -149(2) 1_555 1_555 1_555 1_555 yes O(52) O(53) C(51) C(54) -143(4) 1_555 1_555 1_555 1_555 yes O(52) O(53) C(51) C(55) 165(5) 1_555 1_555 1_555 1_555 yes O(52) O(53) C(55) C(51) -48(18) 1_555 1_555 1_555 1_555 yes O(52) C(51) O(51) C(52) -155(5) 1_555 1_555 1_555 1_555 yes O(52) C(51) O(53) C(55) -165(5) 1_555 1_555 1_555 1_555 yes O(52) C(51) C(52) C(54) -144(3) 1_555 1_555 1_555 1_555 yes O(52) C(51) C(53) C(54) 65(8) 1_555 1_555 1_555 1_555 yes O(52) C(51) C(54) C(52) 54(4) 1_555 1_555 1_555 1_555 yes O(52) C(51) C(54) C(53) -138(5) 1_555 1_555 1_555 1_555 yes O(52) C(51) C(55) O(53) 14(5) 1_555 1_555 1_555 1_555 yes O(53) O(52) O(51) C(51) 20(2) 1_555 1_555 1_555 1_555 yes O(53) O(52) O(51) C(52) 52(7) 1_555 1_555 1_555 1_555 yes O(53) O(52) C(51) C(52) -170(3) 1_555 1_555 1_555 1_555 yes O(53) O(52) C(51) C(53) 116(5) 1_555 1_555 1_555 1_555 yes O(53) O(52) C(51) C(54) 147(4) 1_555 1_555 1_555 1_555 yes O(53) O(52) C(51) C(55) -6(2) 1_555 1_555 1_555 1_555 yes O(53) C(51) O(51) C(52) 175(4) 1_555 1_555 1_555 1_555 yes O(53) C(51) C(52) C(54) -179(11) 1_555 1_555 1_555 1_555 yes O(53) C(51) C(53) C(54) 170(6) 1_555 1_555 1_555 1_555 yes O(53) C(51) C(54) C(52) 179(4) 1_555 1_555 1_555 1_555 yes O(53) C(51) C(54) C(53) -13(9) 1_555 1_555 1_555 1_555 yes O(53) C(55) C(51) C(52) 138(12) 1_555 1_555 1_555 1_555 yes O(53) C(55) C(51) C(53) -140(5) 1_555 1_555 1_555 1_555 yes O(53) C(55) C(51) C(54) -143(6) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(1) C(2a) -2.3(5) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(1) C(2b) 12.8(8) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(2) C(22a) 11.6(5) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(2) C(22b) 32.5(8) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) N(1b) C(6a) 24.7(7) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) N(1b) C(22b) -132(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) N(1b) C(26b) 57(2) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) C(11) -30.2(9) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) C(14) -147.8(6) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) C(15) 90(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) C(10) 162.9(5) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) C(12) -79.9(5) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) C(16) 40.9(9) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) C(11) 111.4(5) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) C(13) -129.0(5) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) C(17) -6.9(9) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) C(12) 64.1(6) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) C(14) -178.7(5) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) C(18) -59.2(9) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) C(10) 120(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) C(13) 3(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) C(19) -118(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(10) -119(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(11) -63(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(12) -89.5(8) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(13) -128.3(7) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(14) -156.8(6) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(6a) C(5a) -82(2) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(6a) C(8a) 145(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(6a) C(26b) 174(2) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(6a) C(28b) 110(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(22b) N(23) 115(2) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(22b) C(22a) 15(5) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) C(6a) -4(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) C(8a) 98(3) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) C(25b) -133(2) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) C(28b) 40(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) S(1) C(2b) -143(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) N(3) C(2b) 137(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) N(3) C(4a) 8(1) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) N(3) C(4b) 41(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) C(2b) N(3) -106(3) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) C(2b) N(21b) 16(5) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) N(1b) C(22b) 114(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) N(1b) C(26b) -174(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(5a) C(4a) -1(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(8a) C(25b) 110(1) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(8a) C(26b) 75(3) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(8a) C(28b) -106(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) N(1b) 4(1) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) C(8a) -119(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) C(25b) 127(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) C(28b) -120(1) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(28b) C(8a) 105(1) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(28b) C(26b) 106(2) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(1) C(2a) -29.9(6) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(1) C(2b) -14.7(9) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(2) C(22a) -17.4(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(2) C(22b) 3.5(9) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) N(1a) C(2a) 133(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) N(1a) C(6a) -47(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) C(11) 70(2) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) C(14) -47(2) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) C(15) -168(2) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) C(10) -161.1(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) C(12) -44.0(9) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) C(16) 76(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) C(11) 149.8(6) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) C(13) -90.6(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) C(17) 31.5(10) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) C(12) 98.5(6) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) C(14) -144.2(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) C(18) -24.7(9) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) C(10) 166.5(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) C(13) 49.0(8) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) C(19) -72(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(10) 157.2(9) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(11) 137.6(8) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(12) 99.3(9) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(13) 65.1(9) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(14) 62(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(2a) N(3) -112(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(2a) C(2b) -29(4) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) C(5a) 139(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) C(8a) -40(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) C(26b) -4(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) C(28b) -99(2) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) N(1a) C(2a) -135(1) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(5a) C(4a) 59(2) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(8a) C(25b) 79(1) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(8a) C(26b) 43(2) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(8a) C(28b) -137(2) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(26b) C(8a) -124(3) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(26b) C(25b) 122(3) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(26b) C(28b) -125(1) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(28b) C(8a) 46(2) 1_555 1_555 1_555 1_555 yes N(1b) C(6a) C(28b) C(26b) 47(1) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) S(2) C(22a) 134(2) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) N(23) C(22a) -134(3) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) N(23) C(24a) -44(3) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) N(23) C(24b) -6(3) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) C(22a) N(21a) 7(5) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) C(22a) N(23) 123(3) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(6a) C(5a) -135(1) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(6a) C(8a) 124(3) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(6a) C(28b) 125(1) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(8a) C(6a) -95(3) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(8a) C(25b) 134(4) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(8a) C(28b) -97(3) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(25b) C(8a) -138(3) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(25b) C(24b) -5(3) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(28b) C(6a) -64(2) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(28b) C(8a) 113(3) 1_555 1_555 1_555 1_555 yes N(3) C(2a) S(1) C(2b) 41(1) 1_555 1_555 1_555 1_555 yes N(3) C(2a) N(1a) C(6a) -8(1) 1_555 1_555 1_555 1_555 yes N(3) C(2a) C(2b) N(21b) 123(3) 1_555 1_555 1_555 1_555 yes N(3) C(2b) S(1) C(2a) -59(2) 1_555 1_555 1_555 1_555 yes N(3) C(2b) N(21b) N(21a) 114(2) 1_555 1_555 1_555 1_555 yes N(3) C(2b) N(21b) C(6b) 3(3) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(4b) C(5b) -122(3) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(4b) C(7a) 133(1) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(4b) C(7b) 131(1) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(5a) C(6a) 1(2) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7a) C(4b) -49(2) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7a) C(7b) 127(3) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7b) C(4b) -63(2) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7b) C(7a) -66(4) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(4a) C(5a) 113(3) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(4a) C(7a) -133(1) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(4a) C(7b) -131(1) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(5b) C(6b) 1(3) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7a) C(4a) 74(3) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7a) C(7b) 70(5) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7b) C(4a) 59(2) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7b) C(7a) -124(4) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(1) C(2a) 11.2(5) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(1) C(2b) 34.0(8) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(2) C(22a) -1.8(5) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(2) C(22b) 21.5(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) N(21b) C(2b) -134(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) N(21b) C(6b) 49(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) C(31) -86(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) C(34) 28(3) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) C(35) 145(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) C(30) 156.2(10) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) C(32) 36(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) C(36) -85(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) C(31) -156.5(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) C(33) 81.9(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) C(37) -38(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) C(32) -107.4(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) C(34) 137.4(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) C(38) 20(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) C(30) -171.3(8) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) C(33) -55.6(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) C(39) 59(2) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(30) -160.4(7) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(31) -141.4(7) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(32) -105.5(8) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(33) -71.8(8) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(34) -70(1) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(2b) C(2a) 11(4) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) C(5b) -137(2) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) C(8b) 38(2) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) C(26a) 3(1) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) C(28a) 77(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) S(2) C(22b) -131(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) N(23) C(22b) 126(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) N(23) C(24a) 1(1) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) N(23) C(24b) 45(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) C(22b) N(23) -116(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) N(21b) -4(1) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) C(5b) 130(3) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) C(8b) -134(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) C(28a) -120(1) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(8b) C(6b) 98(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(8b) C(28a) 81(3) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(25a) C(24a) -1(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(28a) C(6b) 77(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(28a) C(8b) -125(3) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(1) C(2a) -20.2(7) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(1) C(2b) 2.6(9) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(2) C(22a) -36.2(7) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(2) C(22b) -12.8(9) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) N(21a) C(22a) 127(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) N(21a) C(26a) -52(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) C(31) 30(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) C(34) 145(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) C(35) -97(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) C(30) -161(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) C(32) 78.2(10) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) C(36) -42(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) C(31) -112.2(10) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) C(33) 126.3(10) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) C(37) 6(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) C(32) -65(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) C(34) 179.0(10) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) C(38) 62(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) C(30) -118(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) C(33) -2(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) C(39) 112(2) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(30) 132(2) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(31) 64(1) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(32) 86.2(9) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(33) 123.1(9) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(34) 154.7(8) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(22a) N(23) -108(1) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(22a) C(22b) -19(3) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) C(6b) 4(1) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) C(8b) -86(3) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) C(25a) 134(1) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) C(28a) -44(1) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) S(1) C(2a) 122(2) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) N(3) C(2a) -126(3) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) N(3) C(4a) -45(3) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) N(3) C(4b) -7(3) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(5b) C(4b) -4(3) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(8b) C(26a) -58(2) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(8b) C(28a) 97(3) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(26a) C(8b) 129(2) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(26a) C(25a) -131(1) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(26a) C(28a) 115(2) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(28a) C(8b) -100(3) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(28a) C(26a) -84(2) 1_555 1_555 1_555 1_555 yes N(23) C(22a) S(2) C(22b) 49(1) 1_555 1_555 1_555 1_555 yes N(23) C(22a) N(21a) C(26a) -3(2) 1_555 1_555 1_555 1_555 yes N(23) C(22b) S(2) C(22a) -47(1) 1_555 1_555 1_555 1_555 yes N(23) C(22b) N(1b) C(6a) 40(3) 1_555 1_555 1_555 1_555 yes N(23) C(22b) N(1b) C(26b) 0(3) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(24b) C(25b) -104(5) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(24b) C(27a) 128(1) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(24b) C(27b) 131(1) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(25a) C(26a) 0(2) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27a) C(24b) -59(2) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27a) C(27b) 128(3) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27b) C(24b) -71(2) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27b) C(27a) -64(4) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(24a) C(25a) 119(2) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(24a) C(27a) -128(1) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(24a) C(27b) -131(1) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(25b) C(8a) 31(4) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(25b) C(26b) 0(3) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27a) C(24a) 54(2) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27a) C(27b) 62(4) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27b) C(24a) 44(2) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27b) C(27a) -127(4) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(10) 146.2(5) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(11) 107.4(5) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(12) 82.5(5) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(13) 123.6(9) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(14) 171.6(5) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(30) -167.6(7) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(31) -130.8(6) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(32) -105.6(6) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(33) -127(1) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(34) 170.7(6) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(10) -68.9(10) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(11) -88.5(8) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(12) -126.7(7) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(13) -160.9(7) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(14) -163.4(9) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) N(1b) C(6a) 121(1) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) N(1b) C(22b) -2(3) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) N(1b) C(26b) 124(1) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) C(5a) 4(1) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) C(8a) -175(1) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) C(26b) -140(1) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) C(28b) 125(2) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(4b) 129(2) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(5a) -4(1) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(7a) 176(1) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(7b) -158(1) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(4a) -70(3) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(5b) 54(3) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(7a) -148(2) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(7b) -124(2) 1_555 1_555 1_555 1_555 yes C(2a) C(2b) N(3) C(4a) 80(2) 1_555 1_555 1_555 1_555 yes C(2a) C(2b) N(3) C(4b) 118(2) 1_555 1_555 1_555 1_555 yes C(2a) C(2b) N(21b) C(6b) -99(3) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(10) 161.3(8) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(11) 122.5(8) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(12) 97.6(8) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(13) 138(1) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(14) -173.3(8) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(30) -144.8(9) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(31) -108.0(9) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(32) -82.8(9) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(33) -104(1) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(34) -166.5(9) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(4b) 85(3) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(5a) -49(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(7a) 131(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(7b) 156(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(4a) -120(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(5b) 4(3) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(7a) 160(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(7b) -174(2) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(30) 64(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(31) 83(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(32) 119(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(33) 153(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(34) 155(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) N(21a) C(22a) -3(3) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) N(21a) C(26a) -125(2) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) C(5b) 2(3) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) C(8b) 178(2) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) C(26a) 144(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) C(28a) -142(2) 1_555 1_555 1_555 1_555 yes C(2b) C(2a) N(1a) C(6a) 74(3) 1_555 1_555 1_555 1_555 yes C(2b) C(2a) N(3) C(4a) -128(2) 1_555 1_555 1_555 1_555 yes C(2b) C(2a) N(3) C(4b) -95(2) 1_555 1_555 1_555 1_555 yes C(4a) N(3) C(4b) C(5b) 125(4) 1_555 1_555 1_555 1_555 yes C(4a) N(3) C(4b) C(7a) -78(3) 1_555 1_555 1_555 1_555 yes C(4a) N(3) C(4b) C(7b) -53(2) 1_555 1_555 1_555 1_555 yes C(4a) C(4b) C(5b) C(6b) 102(4) 1_555 1_555 1_555 1_555 yes C(4a) C(4b) C(7a) C(7b) -3(5) 1_555 1_555 1_555 1_555 yes C(4a) C(4b) C(7b) C(7a) 176(5) 1_555 1_555 1_555 1_555 yes C(4a) C(5a) C(6a) C(8a) 179(1) 1_555 1_555 1_555 1_555 yes C(4a) C(5a) C(6a) C(26b) 136(2) 1_555 1_555 1_555 1_555 yes C(4a) C(5a) C(6a) C(28b) -132(1) 1_555 1_555 1_555 1_555 yes C(4a) C(7a) C(4b) C(5b) -126(3) 1_555 1_555 1_555 1_555 yes C(4a) C(7a) C(4b) C(7b) 3(5) 1_555 1_555 1_555 1_555 yes C(4a) C(7a) C(7b) C(4b) -1(2) 1_555 1_555 1_555 1_555 yes C(4a) C(7b) C(4b) C(5b) -119(3) 1_555 1_555 1_555 1_555 yes C(4a) C(7b) C(4b) C(7a) -176(5) 1_555 1_555 1_555 1_555 yes C(4a) C(7b) C(7a) C(4b) 1(2) 1_555 1_555 1_555 1_555 yes C(4b) N(3) C(4a) C(5a) -134(3) 1_555 1_555 1_555 1_555 yes C(4b) N(3) C(4a) C(7a) 46(2) 1_555 1_555 1_555 1_555 yes C(4b) N(3) C(4a) C(7b) 71(3) 1_555 1_555 1_555 1_555 yes C(4b) C(4a) C(5a) C(6a) -92(4) 1_555 1_555 1_555 1_555 yes C(4b) C(4a) C(7a) C(7b) 176(5) 1_555 1_555 1_555 1_555 yes C(4b) C(4a) C(7b) C(7a) -2(4) 1_555 1_555 1_555 1_555 yes C(4b) C(5b) C(6b) C(8b) 179(2) 1_555 1_555 1_555 1_555 yes C(4b) C(5b) C(6b) C(26a) -129(3) 1_555 1_555 1_555 1_555 yes C(4b) C(5b) C(6b) C(28a) 140(2) 1_555 1_555 1_555 1_555 yes C(4b) C(7a) C(4a) C(5a) 131(3) 1_555 1_555 1_555 1_555 yes C(4b) C(7a) C(4a) C(7b) -176(5) 1_555 1_555 1_555 1_555 yes C(4b) C(7b) C(4a) C(5a) 140(3) 1_555 1_555 1_555 1_555 yes C(4b) C(7b) C(4a) C(7a) 2(4) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(4b) C(5b) -8(6) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(4b) C(7a) -113(3) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(4b) C(7b) -114(4) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(7a) C(7b) -51(4) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(7b) C(7a) 137(3) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) N(1b) C(22b) 31(3) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) N(1b) C(26b) 103(2) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(8a) C(25b) -69(1) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(8a) C(26b) -105(3) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(8a) C(28b) 73(2) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(26b) C(8a) 99(2) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(26b) C(25b) -13(4) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(26b) C(28b) 98(2) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(28b) C(8a) -125(1) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(28b) C(26b) -124(2) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(4a) C(7a) 104(3) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(4a) C(7b) 106(3) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(7a) C(7b) -129(4) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(7b) C(7a) 56(4) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(8b) C(26a) 117(3) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(8b) C(28a) -86(3) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(26a) C(8b) -95(3) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(26a) C(25a) 3(4) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(26a) C(28a) -109(3) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(28a) C(8b) 112(3) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(28a) C(26a) 128(2) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(10) 109(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(11) 90(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(12) 52(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(13) 17(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(14) 15(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) N(1b) C(22b) -124(2) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) N(1b) C(26b) 3(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) Rh(1) C(10) -94(2) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) Rh(1) C(11) -38(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) Rh(1) C(12) -64(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) Rh(1) C(13) -103.5(10) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) Rh(1) C(14) -132.1(8) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) C(22b) C(22a) -59(4) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) C(26b) C(8a) 102(3) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) C(26b) C(25b) -129(3) 1_555 1_555 1_555 1_555 yes C(6a) N(1b) C(26b) C(28b) 44(1) 1_555 1_555 1_555 1_555 yes C(6a) C(5a) C(4a) C(7a) 179(1) 1_555 1_555 1_555 1_555 yes C(6a) C(5a) C(4a) C(7b) 159(1) 1_555 1_555 1_555 1_555 yes C(6a) C(8a) C(25b) C(24b) -100(3) 1_555 1_555 1_555 1_555 yes C(6a) C(8a) C(25b) C(26b) -32(2) 1_555 1_555 1_555 1_555 yes C(6a) C(8a) C(26b) C(25b) 129(3) 1_555 1_555 1_555 1_555 yes C(6a) C(8a) C(26b) C(28b) 1(2) 1_555 1_555 1_555 1_555 yes C(6a) C(8a) C(28b) C(26b) 0(2) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) N(1b) C(22b) 134(2) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) C(8a) C(25b) -129(3) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) C(8a) C(28b) -1(2) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) C(25b) C(8a) 113(4) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) C(25b) C(24b) -113(3) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) C(28b) C(8a) 178(3) 1_555 1_555 1_555 1_555 yes C(6a) C(28b) C(8a) C(25b) 44(2) 1_555 1_555 1_555 1_555 yes C(6a) C(28b) C(8a) C(26b) 0(2) 1_555 1_555 1_555 1_555 yes C(6a) C(28b) C(26b) C(8a) -178(3) 1_555 1_555 1_555 1_555 yes C(6a) C(28b) C(26b) C(25b) 108(3) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(30) -111(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(31) -92(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(32) -56(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(33) -22(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(34) -20(3) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) N(21a) C(22a) 118(1) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) N(21a) C(26a) -3(1) 1_555 1_555 1_555 1_555 yes C(6b) C(5b) C(4b) C(7a) -160(2) 1_555 1_555 1_555 1_555 yes C(6b) C(5b) C(4b) C(7b) -178(2) 1_555 1_555 1_555 1_555 yes C(6b) C(8b) C(26a) C(25a) -118(1) 1_555 1_555 1_555 1_555 yes C(6b) C(8b) C(26a) C(28a) 17(2) 1_555 1_555 1_555 1_555 yes C(6b) C(8b) C(28a) C(26a) -19(3) 1_555 1_555 1_555 1_555 yes C(6b) C(26a) N(21a) C(22a) -126(1) 1_555 1_555 1_555 1_555 yes C(6b) C(26a) C(8b) C(28a) -17(2) 1_555 1_555 1_555 1_555 yes C(6b) C(26a) C(25a) C(24a) 119(2) 1_555 1_555 1_555 1_555 yes C(6b) C(26a) C(28a) C(8b) 156(3) 1_555 1_555 1_555 1_555 yes C(6b) C(28a) C(8b) C(26a) 19(3) 1_555 1_555 1_555 1_555 yes C(6b) C(28a) C(26a) C(8b) -156(3) 1_555 1_555 1_555 1_555 yes C(6b) C(28a) C(26a) C(25a) -100(2) 1_555 1_555 1_555 1_555 yes C(7a) C(4a) C(4b) C(7b) -1(2) 1_555 1_555 1_555 1_555 yes C(7a) C(4b) C(4a) C(7b) 1(2) 1_555 1_555 1_555 1_555 yes C(8a) C(6a) N(1b) C(22b) -100(2) 1_555 1_555 1_555 1_555 yes C(8a) C(6a) N(1b) C(26b) -29(1) 1_555 1_555 1_555 1_555 yes C(8a) C(6a) C(26b) C(25b) -113(4) 1_555 1_555 1_555 1_555 yes C(8a) C(6a) C(26b) C(28b) -1(2) 1_555 1_555 1_555 1_555 yes C(8a) C(6a) C(28b) C(26b) 0(2) 1_555 1_555 1_555 1_555 yes C(8a) C(25b) C(24b) C(24a) 115(5) 1_555 1_555 1_555 1_555 yes C(8a) C(25b) C(24b) C(27a) -125(2) 1_555 1_555 1_555 1_555 yes C(8a) C(25b) C(24b) C(27b) -144(2) 1_555 1_555 1_555 1_555 yes C(8a) C(25b) C(26b) C(28b) 48(2) 1_555 1_555 1_555 1_555 yes C(8a) C(26b) N(1b) C(22b) -122(3) 1_555 1_555 1_555 1_555 yes C(8a) C(26b) C(6a) C(28b) 1(2) 1_555 1_555 1_555 1_555 yes C(8a) C(26b) C(25b) C(24b) 132(3) 1_555 1_555 1_555 1_555 yes C(8a) C(28b) C(6a) C(26b) 0(2) 1_555 1_555 1_555 1_555 yes C(8a) C(28b) C(26b) C(25b) -72(3) 1_555 1_555 1_555 1_555 yes C(8b) C(6b) C(26a) C(25a) 98(2) 1_555 1_555 1_555 1_555 yes C(8b) C(6b) C(26a) C(28a) -13(2) 1_555 1_555 1_555 1_555 yes C(8b) C(6b) C(28a) C(26a) 16(2) 1_555 1_555 1_555 1_555 yes C(8b) C(26a) N(21a) C(22a) 142(3) 1_555 1_555 1_555 1_555 yes C(8b) C(26a) C(6b) C(28a) 13(2) 1_555 1_555 1_555 1_555 yes C(8b) C(26a) C(25a) C(24a) -153(2) 1_555 1_555 1_555 1_555 yes C(8b) C(28a) C(6b) C(26a) -16(2) 1_555 1_555 1_555 1_555 yes C(8b) C(28a) C(26a) C(25a) 56(3) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) S(2) C(22a) 177.0(5) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) S(2) C(22b) -162.1(8) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) N(1b) C(22b) 108(2) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) N(1b) C(26b) -61(3) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(11) C(12) 117.1(7) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(11) C(16) -122(1) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(12) C(11) -37.9(5) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(12) C(13) 81.7(5) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(12) C(17) -156.2(10) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(13) C(12) -79.1(5) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(13) C(14) 38.1(5) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(13) C(18) 157.7(9) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(14) C(13) -117.5(7) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(14) C(19) 120(1) 1_555 1_555 1_555 1_555 yes C(10) C(11) Rh(1) C(12) -117.1(7) 1_555 1_555 1_555 1_555 yes C(10) C(11) Rh(1) C(13) -80.8(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) Rh(1) C(14) -38.1(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(13) 1.8(10) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(17) -172.3(8) 1_555 1_555 1_555 1_555 yes C(10) C(14) Rh(1) C(11) 37.4(5) 1_555 1_555 1_555 1_555 yes C(10) C(14) Rh(1) C(12) 79.9(5) 1_555 1_555 1_555 1_555 yes C(10) C(14) Rh(1) C(13) 117.5(7) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(13) C(12) 2.3(9) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(13) C(18) 176.5(8) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) S(2) C(22a) -179.3(7) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) S(2) C(22b) -158.3(9) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) N(1b) C(22b) 164(1) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) N(1b) C(26b) -5(2) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(10) C(14) -117.6(7) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(10) C(15) 121(1) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(12) C(13) 119.6(7) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(12) C(17) -118(1) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(13) C(12) -36.6(5) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(13) C(14) 80.7(5) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(13) C(18) -159.8(9) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(14) C(13) -80.1(5) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(14) C(19) 157.9(9) 1_555 1_555 1_555 1_555 yes C(11) C(10) Rh(1) C(12) 37.8(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) Rh(1) C(13) 80.1(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) Rh(1) C(14) 117.6(7) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(13) -1.2(9) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(19) 176.2(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) Rh(1) C(13) -119.6(7) 1_555 1_555 1_555 1_555 yes C(11) C(12) Rh(1) C(14) -81.6(5) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(14) -2.6(9) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(18) -176.6(9) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) S(2) C(22a) -101.4(6) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) S(2) C(22b) -80.5(9) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) N(1b) C(22b) 138(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) N(1b) C(26b) -31(2) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(10) C(14) -79.8(5) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(10) C(15) 158(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(11) C(16) 120(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(13) C(14) 117.2(7) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(13) C(18) -123(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(14) C(13) -37.5(5) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(14) C(19) -159.5(9) 1_555 1_555 1_555 1_555 yes C(12) C(11) Rh(1) C(13) 36.3(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) Rh(1) C(14) 79.0(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(10) C(14) -0.4(9) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(10) C(15) 172.3(8) 1_555 1_555 1_555 1_555 yes C(12) C(13) Rh(1) C(14) -117.2(7) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(14) C(19) -175.1(8) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) S(2) C(22a) -113.3(5) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) S(2) C(22b) -92.3(8) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) N(1b) C(22b) 99(1) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) N(1b) C(26b) -70(2) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(10) C(14) -37.6(5) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(10) C(15) -158(1) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(11) C(16) 157.2(10) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(12) C(17) 122(1) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(14) C(19) -121(1) 1_555 1_555 1_555 1_555 yes C(13) C(12) Rh(1) C(14) 38.0(5) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(11) C(16) 177.8(8) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(10) C(15) -173.8(8) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) S(2) C(22a) -150.0(5) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) S(2) C(22b) -129.1(8) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) N(1b) C(22b) 70(1) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) N(1b) C(26b) -99(2) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(10) C(15) -121(1) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(11) C(16) -160.1(10) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(12) C(17) 160.1(10) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(13) C(18) 119(1) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(11) C(16) -176.2(8) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(12) C(17) 171.4(9) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(11) C(16) -3(1) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(14) C(19) 3(1) 1_555 1_555 1_555 1_555 yes C(16) C(11) C(12) C(17) 3(1) 1_555 1_555 1_555 1_555 yes C(17) C(12) C(13) C(18) -2(1) 1_555 1_555 1_555 1_555 yes C(18) C(13) C(14) C(19) 0(1) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(30) 161.7(7) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(31) 164.2(9) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(32) 83.2(8) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(33) 88.8(6) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(34) 124.8(7) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(30) -100(2) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(31) -167.7(8) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(32) -146.3(8) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(33) -109.4(9) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(34) -77.8(9) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) C(26a) C(25a) 3(1) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) C(26a) C(28a) -174(1) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(24b) 124(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(25a) 0(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(27a) 173(1) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(27b) -163(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(24a) -82(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(25b) 55(3) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(27a) -149(1) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(27b) -127(1) 1_555 1_555 1_555 1_555 yes C(22a) C(22b) N(1b) C(26b) -99(3) 1_555 1_555 1_555 1_555 yes C(22a) C(22b) N(23) C(24a) 89(2) 1_555 1_555 1_555 1_555 yes C(22a) C(22b) N(23) C(24b) 128(1) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(30) -174.9(9) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(31) -172(1) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(32) 106(1) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(33) 112.1(9) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(34) 148.2(10) 1_555 1_555 1_555 1_555 yes C(22b) N(1b) C(6a) C(26b) -71(3) 1_555 1_555 1_555 1_555 yes C(22b) N(1b) C(6a) C(28b) -135(2) 1_555 1_555 1_555 1_555 yes C(22b) N(1b) C(26b) C(25b) 5(3) 1_555 1_555 1_555 1_555 yes C(22b) N(1b) C(26b) C(28b) 179(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(24b) 70(3) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(25a) -53(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(27a) 120(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(27b) 143(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(24a) -131(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(25b) 6(3) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(27a) 161(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(27b) -176(1) 1_555 1_555 1_555 1_555 yes C(22b) C(22a) N(21a) C(26a) 84(2) 1_555 1_555 1_555 1_555 yes C(22b) C(22a) N(23) C(24a) -124(1) 1_555 1_555 1_555 1_555 yes C(22b) C(22a) N(23) C(24b) -81(2) 1_555 1_555 1_555 1_555 yes C(24a) N(23) C(24b) C(25b) 138(3) 1_555 1_555 1_555 1_555 yes C(24a) N(23) C(24b) C(27a) -66(2) 1_555 1_555 1_555 1_555 yes C(24a) N(23) C(24b) C(27b) -44(2) 1_555 1_555 1_555 1_555 yes C(24a) C(24b) C(25b) C(26b) 82(6) 1_555 1_555 1_555 1_555 yes C(24a) C(24b) C(27a) C(27b) 7(4) 1_555 1_555 1_555 1_555 yes C(24a) C(24b) C(27b) C(27a) -171(4) 1_555 1_555 1_555 1_555 yes C(24a) C(25a) C(26a) C(28a) 176(1) 1_555 1_555 1_555 1_555 yes C(24a) C(27a) C(24b) C(25b) -148(3) 1_555 1_555 1_555 1_555 yes C(24a) C(27a) C(24b) C(27b) -7(4) 1_555 1_555 1_555 1_555 yes C(24a) C(27a) C(27b) C(24b) 4(2) 1_555 1_555 1_555 1_555 yes C(24a) C(27b) C(24b) C(25b) -138(4) 1_555 1_555 1_555 1_555 yes C(24a) C(27b) C(24b) C(27a) 171(4) 1_555 1_555 1_555 1_555 yes C(24a) C(27b) C(27a) C(24b) -4(2) 1_555 1_555 1_555 1_555 yes C(24b) N(23) C(24a) C(25a) -123(3) 1_555 1_555 1_555 1_555 yes C(24b) N(23) C(24a) C(27a) 49(2) 1_555 1_555 1_555 1_555 yes C(24b) N(23) C(24a) C(27b) 72(2) 1_555 1_555 1_555 1_555 yes C(24b) C(24a) C(25a) C(26a) -99(3) 1_555 1_555 1_555 1_555 yes C(24b) C(24a) C(27a) C(27b) -171(4) 1_555 1_555 1_555 1_555 yes C(24b) C(24a) C(27b) C(27a) 7(4) 1_555 1_555 1_555 1_555 yes C(24b) C(25b) C(8a) C(26b) -68(4) 1_555 1_555 1_555 1_555 yes C(24b) C(25b) C(8a) C(28b) -134(3) 1_555 1_555 1_555 1_555 yes C(24b) C(25b) C(26b) C(28b) -178(2) 1_555 1_555 1_555 1_555 yes C(24b) C(27a) C(24a) C(25a) 113(3) 1_555 1_555 1_555 1_555 yes C(24b) C(27a) C(24a) C(27b) 171(4) 1_555 1_555 1_555 1_555 yes C(24b) C(27b) C(24a) C(25a) 123(2) 1_555 1_555 1_555 1_555 yes C(24b) C(27b) C(24a) C(27a) -7(4) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(24b) C(25b) 14(7) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(24b) C(27a) -112(2) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(24b) C(27b) -109(2) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(27a) C(27b) -58(4) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(27b) C(27a) 130(3) 1_555 1_555 1_555 1_555 yes C(25a) C(26a) C(6b) C(28a) 112(2) 1_555 1_555 1_555 1_555 yes C(25a) C(26a) C(8b) C(28a) -136(2) 1_555 1_555 1_555 1_555 yes C(25b) C(8a) C(6a) C(26b) 35(2) 1_555 1_555 1_555 1_555 yes C(25b) C(8a) C(6a) C(28b) -142(2) 1_555 1_555 1_555 1_555 yes C(25b) C(8a) C(26b) C(28b) -128(2) 1_555 1_555 1_555 1_555 yes C(25b) C(8a) C(28b) C(26b) 43(2) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(24a) C(27a) 127(5) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(24a) C(27b) 124(5) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(27a) C(27b) -141(4) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(27b) C(27a) 49(4) 1_555 1_555 1_555 1_555 yes C(25b) C(26b) C(6a) C(28b) -112(3) 1_555 1_555 1_555 1_555 yes C(25b) C(26b) C(8a) C(28b) 128(2) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(30) 79(2) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(31) 12(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(32) 33(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(33) 70(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(34) 102(1) 1_555 1_555 1_555 1_555 yes C(26a) C(6b) C(8b) C(28a) 156(3) 1_555 1_555 1_555 1_555 yes C(26a) C(8b) C(6b) C(28a) -156(3) 1_555 1_555 1_555 1_555 yes C(26a) C(25a) C(24a) C(27a) -173(1) 1_555 1_555 1_555 1_555 yes C(26a) C(25a) C(24a) C(27b) 165(1) 1_555 1_555 1_555 1_555 yes C(26b) N(1b) C(6a) C(28b) -64(2) 1_555 1_555 1_555 1_555 yes C(26b) C(6a) C(8a) C(28b) 178(3) 1_555 1_555 1_555 1_555 yes C(26b) C(8a) C(6a) C(28b) -178(3) 1_555 1_555 1_555 1_555 yes C(26b) C(25b) C(8a) C(28b) -65(3) 1_555 1_555 1_555 1_555 yes C(26b) C(25b) C(24b) C(27a) -157(2) 1_555 1_555 1_555 1_555 yes C(26b) C(25b) C(24b) C(27b) -176(2) 1_555 1_555 1_555 1_555 yes C(27a) C(24a) C(24b) C(27b) 3(1) 1_555 1_555 1_555 1_555 yes C(27a) C(24b) C(24a) C(27b) -3(1) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(31) C(32) -120(1) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(31) C(36) 118(2) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(32) C(31) 35.8(9) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(32) C(33) -85.8(10) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(32) C(37) 154(2) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(33) C(32) 75.2(9) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(33) C(34) -40.0(8) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(33) C(38) -156(2) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(34) C(33) 115(1) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(34) C(39) -129(2) 1_555 1_555 1_555 1_555 yes C(30) C(31) Rh(2) C(32) 120(1) 1_555 1_555 1_555 1_555 yes C(30) C(31) Rh(2) C(33) 85.0(9) 1_555 1_555 1_555 1_555 yes C(30) C(31) Rh(2) C(34) 41.2(8) 1_555 1_555 1_555 1_555 yes C(30) C(31) C(32) C(33) 0(1) 1_555 1_555 1_555 1_555 yes C(30) C(31) C(32) C(37) 175(1) 1_555 1_555 1_555 1_555 yes C(30) C(34) Rh(2) C(31) -37.2(7) 1_555 1_555 1_555 1_555 yes C(30) C(34) Rh(2) C(32) -78.0(8) 1_555 1_555 1_555 1_555 yes C(30) C(34) Rh(2) C(33) -115(1) 1_555 1_555 1_555 1_555 yes C(30) C(34) C(33) C(32) -1(1) 1_555 1_555 1_555 1_555 yes C(30) C(34) C(33) C(38) -176(1) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(30) C(34) 114(1) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(30) C(35) -127(3) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(32) C(33) -121(1) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(32) C(37) 118(2) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(33) C(32) 34.5(8) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(33) C(34) -80.7(9) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(33) C(38) 162(2) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(34) C(33) 78.5(8) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(34) C(39) -166(2) 1_555 1_555 1_555 1_555 yes C(31) C(30) Rh(2) C(32) -35.4(7) 1_555 1_555 1_555 1_555 yes C(31) C(30) Rh(2) C(33) -76.4(8) 1_555 1_555 1_555 1_555 yes C(31) C(30) Rh(2) C(34) -114(1) 1_555 1_555 1_555 1_555 yes C(31) C(30) C(34) C(33) 2(1) 1_555 1_555 1_555 1_555 yes C(31) C(30) C(34) C(39) -173(1) 1_555 1_555 1_555 1_555 yes C(31) C(32) Rh(2) C(33) 121(1) 1_555 1_555 1_555 1_555 yes C(31) C(32) Rh(2) C(34) 81.8(9) 1_555 1_555 1_555 1_555 yes C(31) C(32) C(33) C(34) 0(1) 1_555 1_555 1_555 1_555 yes C(31) C(32) C(33) C(38) 175(1) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(30) C(34) 79.3(8) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(30) C(35) -163(2) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(31) C(36) -121(2) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(33) C(34) -115(1) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(33) C(38) 128(2) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(34) C(33) 37.7(7) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(34) C(39) 152(2) 1_555 1_555 1_555 1_555 yes C(32) C(31) Rh(2) C(33) -35.1(8) 1_555 1_555 1_555 1_555 yes C(32) C(31) Rh(2) C(34) -78.8(9) 1_555 1_555 1_555 1_555 yes C(32) C(31) C(30) C(34) -1(1) 1_555 1_555 1_555 1_555 yes C(32) C(31) C(30) C(35) -174(1) 1_555 1_555 1_555 1_555 yes C(32) C(33) Rh(2) C(34) 115(1) 1_555 1_555 1_555 1_555 yes C(32) C(33) C(34) C(39) 174(1) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(30) C(34) 38.3(7) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(30) C(35) 155(2) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(31) C(36) -156(2) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(32) C(37) -120(2) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(34) C(39) 115(2) 1_555 1_555 1_555 1_555 yes C(33) C(32) Rh(2) C(34) -39.7(9) 1_555 1_555 1_555 1_555 yes C(33) C(32) C(31) C(36) -175(1) 1_555 1_555 1_555 1_555 yes C(33) C(34) C(30) C(35) 175(1) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(30) C(35) 117(3) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(31) C(36) 160(2) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(32) C(37) -159(2) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(33) C(38) -116(2) 1_555 1_555 1_555 1_555 yes C(34) C(30) C(31) C(36) 174(1) 1_555 1_555 1_555 1_555 yes C(34) C(33) C(32) C(37) -174(1) 1_555 1_555 1_555 1_555 yes C(35) C(30) C(31) C(36) 2(2) 1_555 1_555 1_555 1_555 yes C(35) C(30) C(34) C(39) 0(2) 1_555 1_555 1_555 1_555 yes C(36) C(31) C(32) C(37) 0(1) 1_555 1_555 1_555 1_555 yes C(37) C(32) C(33) C(38) 0(2) 1_555 1_555 1_555 1_555 yes C(38) C(33) C(34) C(39) 0(1) 1_555 1_555 1_555 1_555 yes C(51) O(51) C(52) C(54) 15(5) 1_555 1_555 1_555 1_555 yes C(51) O(52) O(51) C(52) 32(6) 1_555 1_555 1_555 1_555 yes C(51) O(52) O(53) C(55) 55(20) 1_555 1_555 1_555 1_555 yes C(51) C(52) C(54) C(53) -92(37) 1_555 1_555 1_555 1_555 yes C(51) C(53) C(54) C(52) 86(37) 1_555 1_555 1_555 1_555 yes C(52) O(51) C(51) C(53) -11(4) 1_555 1_555 1_555 1_555 yes C(52) O(51) C(51) C(54) -12(4) 1_555 1_555 1_555 1_555 yes C(52) O(51) C(51) C(55) 151(4) 1_555 1_555 1_555 1_555 yes C(52) C(51) O(53) C(55) -129(11) 1_555 1_555 1_555 1_555 yes C(52) C(51) C(53) C(54) -11(6) 1_555 1_555 1_555 1_555 yes C(52) C(51) C(54) C(53) 166(8) 1_555 1_555 1_555 1_555 yes C(52) C(54) C(51) C(53) -166(8) 1_555 1_555 1_555 1_555 yes C(52) C(54) C(51) C(55) -157(3) 1_555 1_555 1_555 1_555 yes C(53) C(51) O(53) C(55) 45(6) 1_555 1_555 1_555 1_555 yes C(53) C(51) C(52) C(54) 5(3) 1_555 1_555 1_555 1_555 yes C(53) C(54) C(51) C(55) 9(7) 1_555 1_555 1_555 1_555 yes C(54) C(51) O(53) C(55) 51(7) 1_555 1_555 1_555 1_555 yes C(54) C(52) C(51) C(55) 90(11) 1_555 1_555 1_555 1_555 yes C(54) C(53) C(51) C(55) -172(6) 1_555 1_555 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag F(1) C(5a) 3.38(2) 1_555 1_555 ? F(1) C(7b) 3.42(3) 1_555 1_555 ? F(1) C(17) 3.51(2) 1_555 3_666 ? F(1) C(7a) 3.60(2) 1_555 1_555 ? F(2) C(27a) 3.32(2) 1_555 1_555 ? F(2) C(25b) 3.34(3) 1_555 1_555 ? F(2) C(27b) 3.46(3) 1_555 1_555 ? F(2) C(17) 3.48(2) 1_555 2_546 ? F(3) C(5b) 2.80(3) 1_555 1_555 ? F(3) C(25a) 3.13(2) 1_555 1_555 ? F(4) C(11) 3.13(1) 1_555 1_545 ? F(4) C(16) 3.30(1) 1_555 1_545 ? F(4) C(12) 3.47(2) 1_555 1_545 ? F(4) C(10) 3.49(2) 1_555 1_545 ? F(5) C(8a) 2.97(2) 1_555 2_546 ? F(5) C(16) 3.45(2) 1_555 3_666 ? F(6) C(14) 3.07(1) 1_555 1_545 ? F(6) C(13) 3.09(1) 1_555 1_545 ? F(6) C(12) 3.36(1) 1_555 1_545 ? F(6) C(10) 3.38(1) 1_555 1_545 ? F(6) C(11) 3.55(1) 1_555 1_545 ? F(7) C(8b) 3.27(3) 1_555 1_555 ? F(7) C(15) 3.46(1) 1_555 1_545 ? F(7) C(55) 3.54(4) 1_555 1_555 ? F(7) C(28a) 3.59(2) 1_555 1_555 ? F(8) C(19) 3.54(2) 1_555 1_545 ? F(9) C(8b) 2.99(3) 1_555 1_555 ? F(9) O(53) 3.36(4) 1_555 4_455 ? F(9) C(53) 3.48(4) 1_555 4_455 ? F(9) C(55) 3.53(4) 1_555 4_455 ? F(10) C(34) 3.14(2) 1_555 2_545 ? F(10) C(39) 3.23(2) 1_555 2_545 ? F(10) C(33) 3.31(2) 1_555 2_545 ? F(12) C(31) 3.24(1) 1_555 2_545 ? F(12) C(32) 3.31(1) 1_555 2_545 ? F(12) C(53) 3.40(4) 1_555 4_455 ? F(12) C(30) 3.42(1) 1_555 2_545 ? F(12) C(33) 3.53(2) 1_555 2_545 ? F(12) C(34) 3.57(2) 1_555 2_545 ? O(51) C(35) 2.98(4) 1_555 1_545 ? O(51) C(38) 3.48(4) 1_555 4_555 ? O(52) N(23) 3.31(3) 1_555 4_555 ? O(52) C(38) 3.34(3) 1_555 4_555 ? O(52) C(22a) 3.41(3) 1_555 4_555 ? O(52) C(15) 3.53(3) 1_555 1_545 ? O(52) C(24a) 3.57(3) 1_555 4_555 ? O(53) C(27b) 3.57(5) 1_555 4_555 ? C(7a) C(27b) 3.44(3) 1_555 4_555 ? C(7a) C(27a) 3.59(3) 1_555 4_555 ? C(7b) C(28b) 3.25(4) 1_555 3_666 ? C(28a) C(55) 3.23(4) 1_555 1_555 ? C(35) C(52) 3.17(6) 1_555 1_565 ? C(36) C(39) 3.53(2) 1_555 4_565 ? C(38) C(52) 3.52(5) 1_555 4_455 ? C(52) C(52) 3.5(1) 1_555 3_655 ? C(52) C(54) 3.56(6) 1_555 3_655 ? N(1a) C(4a) 2.73(2) 1_555 1_555 ? N(1a) N(21b) 2.73(2) 1_555 1_555 ? N(1a) C(22a) 3.02(2) 1_555 1_555 ? N(1a) C(4b) 3.06(3) 1_555 1_555 ? N(1a) C(25b) 3.07(3) 1_555 1_555 ? N(1a) N(21a) 3.18(1) 1_555 1_555 ? N(1a) C(12) 3.33(1) 1_555 1_555 ? N(1a) C(6b) 3.46(3) 1_555 1_555 ? N(1a) N(23) 3.51(1) 1_555 1_555 ? N(1a) C(11) 3.55(1) 1_555 1_555 ? N(1b) C(2a) 2.51(2) 1_555 1_555 ? N(1b) C(24b) 2.71(3) 1_555 1_555 ? N(1b) N(21a) 2.85(2) 1_555 1_555 ? N(1b) C(5a) 3.01(2) 1_555 1_555 ? N(1b) C(2b) 3.06(3) 1_555 1_555 ? N(1b) C(24a) 3.10(2) 1_555 1_555 ? N(1b) N(21b) 3.14(3) 1_555 1_555 ? N(1b) C(13) 3.37(2) 1_555 1_555 ? N(1b) C(12) 3.45(2) 1_555 1_555 ? N(1b) N(3) 3.52(2) 1_555 1_555 ? N(1b) C(26a) 3.54(2) 1_555 1_555 ? N(3) C(7b) 2.58(3) 1_555 1_555 ? N(3) C(6b) 2.61(3) 1_555 1_555 ? N(3) C(6a) 2.77(2) 1_555 1_555 ? N(21a) C(24a) 2.71(2) 1_555 1_555 ? N(21a) C(2b) 2.76(2) 1_555 1_555 ? N(21a) C(2a) 3.05(2) 1_555 1_555 ? N(21a) C(24b) 3.16(3) 1_555 1_555 ? N(21a) C(5b) 3.29(3) 1_555 1_555 ? N(21b) C(8b) 2.53(3) 1_555 1_555 ? N(21b) C(22a) 2.66(2) 1_555 1_555 ? N(21b) C(4b) 2.66(3) 1_555 1_555 ? N(21b) C(4a) 2.98(2) 1_555 1_555 ? N(21b) C(22b) 3.07(3) 1_555 1_555 ? N(21b) C(25a) 3.15(2) 1_555 1_555 ? N(21b) C(6a) 3.42(2) 1_555 1_555 ? N(21b) C(5a) 3.51(2) 1_555 1_555 ? N(23) C(26a) 2.76(2) 1_555 1_555 ? N(23) C(26b) 2.79(3) 1_555 1_555 ? N(23) C(8a) 3.44(2) 1_555 1_555 ? N(23) C(6a) 3.49(2) 1_555 1_555 ? C(2a) C(5a) 2.68(2) 1_555 1_555 ? C(2a) C(6b) 2.91(3) 1_555 1_555 ? C(2a) C(26b) 3.08(3) 1_555 1_555 ? C(2a) C(5b) 3.12(3) 1_555 1_555 ? C(2a) C(22b) 3.24(3) 1_555 1_555 ? C(2a) C(28b) 3.26(3) 1_555 1_555 ? C(2a) C(22a) 3.41(2) 1_555 1_555 ? C(2a) C(26a) 3.56(2) 1_555 1_555 ? C(2b) C(5b) 2.72(3) 1_555 1_555 ? C(2b) C(6a) 2.94(3) 1_555 1_555 ? C(2b) C(5a) 3.00(3) 1_555 1_555 ? C(2b) C(26a) 3.15(3) 1_555 1_555 ? C(2b) C(28a) 3.30(3) 1_555 1_555 ? C(2b) C(22a) 3.45(3) 1_555 1_555 ? C(2b) C(7a) 3.48(3) 1_555 1_555 ? C(2b) C(22b) 3.51(3) 1_555 1_555 ? C(4a) C(6b) 2.76(3) 1_555 1_555 ? C(4a) C(28b) 3.16(3) 1_555 1_555 ? C(4a) C(26b) 3.31(3) 1_555 1_555 ? C(4b) C(6a) 2.93(3) 1_555 1_555 ? C(4b) C(28a) 3.24(3) 1_555 1_555 ? C(4b) C(26a) 3.44(3) 1_555 1_555 ? C(5a) C(5b) 2.52(3) 1_555 1_555 ? C(5a) C(7a) 2.55(3) 1_555 1_555 ? C(5a) C(8a) 2.56(2) 1_555 1_555 ? C(5a) C(25b) 2.64(3) 1_555 1_555 ? C(5a) C(6b) 3.27(3) 1_555 1_555 ? C(5b) C(8b) 2.57(4) 1_555 1_555 ? C(5b) C(7b) 2.58(4) 1_555 1_555 ? C(5b) C(25a) 2.89(3) 1_555 1_555 ? C(5b) C(6a) 3.39(3) 1_555 1_555 ? C(6a) C(22b) 2.85(3) 1_555 1_555 ? C(6a) C(24b) 3.15(3) 1_555 1_555 ? C(6a) C(22a) 3.48(2) 1_555 1_555 ? C(6b) C(22a) 3.15(3) 1_555 1_555 ? C(6b) C(7a) 3.39(3) 1_555 1_555 ? C(6b) C(24a) 3.41(3) 1_555 1_555 ? C(7a) C(27b) 3.44(3) 1_555 4_555 ? C(7a) C(27a) 3.59(3) 1_555 4_555 ? C(7b) C(28b) 3.25(4) 1_555 3_666 ? C(8a) C(24b) 2.91(3) 1_555 1_555 ? C(8a) C(22b) 3.02(3) 1_555 1_555 ? C(8a) C(17) 3.57(2) 1_555 1_555 ? C(8b) C(24a) 3.16(3) 1_555 1_555 ? C(8b) C(22a) 3.30(3) 1_555 1_555 ? C(10) C(16) 2.59(1) 1_555 1_555 ? C(10) C(19) 2.63(1) 1_555 1_555 ? C(11) C(17) 2.58(1) 1_555 1_555 ? C(11) C(15) 2.59(1) 1_555 1_555 ? C(12) C(16) 2.58(1) 1_555 1_555 ? C(12) C(18) 2.61(1) 1_555 1_555 ? C(13) C(17) 2.61(1) 1_555 1_555 ? C(13) C(19) 2.62(1) 1_555 1_555 ? C(14) C(18) 2.60(1) 1_555 1_555 ? C(14) C(15) 2.62(1) 1_555 1_555 ? C(15) C(16) 3.18(2) 1_555 1_555 ? C(15) C(19) 3.21(2) 1_555 1_555 ? C(16) C(17) 3.12(2) 1_555 1_555 ? C(17) C(18) 3.22(2) 1_555 1_555 ? C(17) C(28b) 3.23(3) 1_555 1_555 ? C(18) C(19) 3.18(1) 1_555 1_555 ? C(22a) C(24b) 2.52(3) 1_555 1_555 ? C(22a) C(25a) 2.63(2) 1_555 1_555 ? C(22a) C(26b) 3.10(3) 1_555 1_555 ? C(22a) C(25b) 3.19(3) 1_555 1_555 ? C(22b) C(25b) 2.65(3) 1_555 1_555 ? C(22b) C(26a) 2.99(3) 1_555 1_555 ? C(22b) C(25a) 3.04(3) 1_555 1_555 ? C(22b) C(27a) 3.56(3) 1_555 1_555 ? C(24a) C(26b) 3.03(3) 1_555 1_555 ? C(24b) C(26a) 3.01(3) 1_555 1_555 ? C(25a) C(28a) 2.57(2) 1_555 1_555 ? C(25a) C(27a) 2.62(2) 1_555 1_555 ? C(25a) C(25b) 2.79(3) 1_555 1_555 ? C(25a) C(26b) 3.55(3) 1_555 1_555 ? C(25b) C(28b) 2.54(4) 1_555 1_555 ? C(25b) C(27b) 2.69(4) 1_555 1_555 ? C(25b) C(26a) 3.57(3) 1_555 1_555 ? C(26b) C(27a) 3.54(3) 1_555 1_555 ? #------------------------------------------------------------------------------ _publ_contact_author_name ' ENTER NAME' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_author_email ' ENTER EMAIL ADDRESS ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; _publ_section_synopsis ; ENTER SYNOPSIS ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1998). teXsan. Single Crystal Structure Analysis Software. Version 1.9. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. North, A.C.T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; data_[Rh2(Cp*)2(mpymt)2](ClO4)2 #------------------------------------------------------------------------------ _audit_creation_date 'Thu Feb 4 11:11:53 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution SHELXS86 _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _chemical_compound_source ? _chemical_name_common ? _chemical_formula_weight 925.51 _chemical_formula_analytical ? _chemical_formula_sum 'C30 H40 Cl2 N4 O8 S2 Rh2 ' _chemical_formula_moiety '?' _chemical_formula_structural ? _chemical_melting_point ? #------------------------------------------------------------------------------ _cell_length_a 15.164(3) _cell_length_b 12.762(4) _cell_length_c 21.467(3) _cell_angle_alpha 90 _cell_angle_beta 108.04(1) _cell_angle_gamma 90 _cell_volume 3950(1) _cell_formula_units_Z 4 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 24 _cell_measurement_theta_min 13.7 _cell_measurement_theta_max 14.7 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/a ' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,z #------------------------------------------------------------------------------ _exptl_crystal_description 'plate' _exptl_crystal_colour 'red' _exptl_crystal_size_max 0.300 _exptl_crystal_size_mid 0.300 _exptl_crystal_size_min 0.150 _exptl_crystal_density_diffrn 1.556 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1872.00 _exptl_absorpt_coefficient_mu 1.123 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_process_details '(North, Phillips & Mathews, 1968)' _exptl_absorpt_correction_T_min 0.783 _exptl_absorpt_correction_T_max 0.999 _exptl_special_details ; ? ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'Rigaku rotating anode' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku AFC5R' _diffrn_measurement_method \w-2\q _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% -3.33 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l -1 -3 2 -1 -2 -3 -2 -2 0 _diffrn_reflns_number 11930 _reflns_number_total 11525 _reflns_number_gt 4700 _reflns_observed_expression >2.0sigma(I) _diffrn_reflns_av_R_equivalents 0.039 _diffrn_reflns_av_sigmaI/netI 0.129 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 0 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 2.53 _diffrn_reflns_theta_max 30.07 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 -0.04319 _diffrn_orient_matrix_UB_12 -0.01147 _diffrn_orient_matrix_UB_13 0.02636 _diffrn_orient_matrix_UB_21 -0.05423 _diffrn_orient_matrix_UB_22 0.01196 _diffrn_orient_matrix_UB_23 -0.04002 _diffrn_orient_matrix_UB_31 -0.00200 _diffrn_orient_matrix_UB_32 -0.07659 _diffrn_orient_matrix_UB_33 -0.01019 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_imag _atom_type_scat_source 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'N' 'N' 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'RhRh' -1.118 0.919 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'S' 'S' 0.125 0.123 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'ClCl' 0.148 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #------------------------------------------------------------------------------ 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_flags _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh(1) Rh 0.29401(5) 0.77696(6) 0.31423(3) 0.0426(2) Uani 1.00 d . . . Rh(2) Rh 0.27407(5) 0.63876(6) 0.16514(3) 0.0501(2) Uani 1.00 d . . . Cl(1) Cl 0.3070(2) 0.1515(2) 0.4360(2) 0.0764(10) Uani 1.00 d . . . Cl(2) Cl 0.1557(6) 0.1669(4) 0.0922(3) 0.223(3) Uani 1.00 d . . . S(1) S 0.3980(1) 0.6924(2) 0.2620(1) 0.0469(6) Uani 1.00 d . . . S(2) S 0.1698(2) 0.6988(2) 0.2249(1) 0.0514(7) Uani 1.00 d . . . O(1) O 0.3194(9) 0.2538(7) 0.4602(6) 0.142(5) Uani 1.00 d . . . O(2) O 0.3864(8) 0.109(1) 0.4334(8) 0.193(7) Uani 1.00 d . . . O(3) O 0.271(1) 0.090(1) 0.4741(8) 0.224(9) Uani 1.00 d . . . O(4) O 0.247(1) 0.1476(10) 0.3753(7) 0.224(7) Uani 1.00 d . . . O(5) O 0.193(2) 0.198(1) 0.1522(7) 0.272(10) Uani 1.00 d . . . O(6) O 0.130(1) 0.233(1) 0.0461(8) 0.263(9) Uani 1.00 d . . . O(7) O 0.1018 0.0913 0.0882 0.3437 Uiso 1.00 d . . . O(8a) O 0.1918 0.0670 0.0723 0.2978 Uiso 0.50 d P . . O(8b) O 0.2659 0.1603 0.0830 0.3210 Uiso 0.50 d P . . N(1a) N 0.3446(9) 0.632(1) 0.3559(7) 0.067(4) Uiso 0.65 d P . . N(1b) N 0.239(1) 0.627(1) 0.3360(8) 0.025(3) Uiso 0.35 d P . . N(3) N 0.4429(6) 0.5102(7) 0.3307(4) 0.065(2) Uiso 1.00 d . . . N(21a) N 0.2306(10) 0.519(1) 0.2172(7) 0.078(4) Uiso 0.65 d P . . N(21b) N 0.331(1) 0.512(1) 0.2329(8) 0.027(4) Uiso 0.35 d P . . N(23) N 0.1329(6) 0.5169(8) 0.2791(5) 0.077(3) Uiso 1.00 d . . . C(2a) C 0.398(1) 0.595(1) 0.3145(9) 0.068(4) Uiso 0.65 d P . . C(2b) C 0.391(1) 0.555(2) 0.2790(10) 0.026(4) Uiso 0.35 d P . . C(4a) C 0.436(1) 0.442(2) 0.3725(10) 0.079(5) Uiso 0.65 d P . . C(4b) C 0.428(2) 0.405(2) 0.338(1) 0.047(6) Uiso 0.35 d P . . C(5a) C 0.387(1) 0.474(2) 0.418(1) 0.096(6) Uiso 0.65 d P . . C(5b) C 0.368(2) 0.356(2) 0.294(1) 0.050(6) Uiso 0.35 d P . . C(6a) C 0.336(1) 0.569(2) 0.410(1) 0.093(6) Uiso 0.65 d P . . C(6b) C 0.320(2) 0.409(2) 0.238(1) 0.041(5) Uiso 0.35 d P . . C(7a) C 0.486(2) 0.344(2) 0.386(1) 0.105(8) Uiso 0.65 d P . . C(7b) C 0.495(3) 0.366(3) 0.414(2) 0.08(1) Uiso 0.35 d P . . C(10) C 0.3232(7) 0.9403(7) 0.3061(5) 0.055(3) Uani 1.00 d . . . C(11) C 0.3859(6) 0.8985(8) 0.3664(4) 0.052(3) Uani 1.00 d . . . C(12) C 0.3329(6) 0.8646(7) 0.4054(4) 0.051(3) Uani 1.00 d . . . C(13) C 0.2350(6) 0.8818(7) 0.3686(4) 0.050(3) Uani 1.00 d . . . C(14) C 0.2318(6) 0.9313(7) 0.3094(4) 0.050(3) Uani 1.00 d . . . C(15) C 0.3526(8) 0.9917(9) 0.2534(6) 0.079(4) Uani 1.00 d . . . C(16) C 0.4903(7) 0.897(1) 0.3872(6) 0.083(4) Uani 1.00 d . . . C(17) C 0.3694(7) 0.8220(10) 0.4728(5) 0.073(3) Uani 1.00 d . . . C(18) C 0.1543(7) 0.8607(9) 0.3937(6) 0.074(4) Uani 1.00 d . . . C(19) C 0.1468(7) 0.9688(9) 0.2594(5) 0.074(4) Uani 1.00 d . . . C(22a) C 0.175(1) 0.571(1) 0.2506(8) 0.062(4) Uiso 0.65 d P . . C(22b) C 0.182(2) 0.604(2) 0.284(1) 0.035(5) Uiso 0.35 d P . . C(24a) C 0.147(1) 0.426(1) 0.3007(9) 0.065(4) Uiso 0.65 d P . . C(24b) C 0.166(3) 0.452(3) 0.338(2) 0.09(1) Uiso 0.35 d P . . C(25a) C 0.205(2) 0.365(2) 0.267(1) 0.106(7) Uiso 0.65 d P . . C(25b) C 0.213(2) 0.466(2) 0.381(2) 0.061(8) Uiso 0.35 d P . . C(26a) C 0.252(1) 0.413(2) 0.2261(10) 0.090(6) Uiso 0.65 d P . . C(26b) C 0.254(2) 0.561(2) 0.386(1) 0.055(7) Uiso 0.35 d P . . C(27a) C 0.109(2) 0.362(2) 0.349(2) 0.14(1) Uiso 0.65 d P . . C(27b) C 0.087(2) 0.345(3) 0.309(2) 0.071(9) Uiso 0.35 d P . . C(30) C 0.3171(7) 0.7302(9) 0.0954(4) 0.060(3) Uani 1.00 d . . . C(31) C 0.3460(8) 0.6257(10) 0.0940(5) 0.067(4) Uani 1.00 d . . . C(32) C 0.262(1) 0.563(1) 0.0736(5) 0.097(5) Uani 1.00 d . . . C(33) C 0.1862(8) 0.629(2) 0.0659(5) 0.096(5) Uani 1.00 d . . . C(34) C 0.2195(8) 0.732(1) 0.0787(5) 0.077(4) Uani 1.00 d . . . C(35) C 0.383(1) 0.819(1) 0.1098(6) 0.122(6) Uani 1.00 d . . . C(36) C 0.4443(10) 0.591(1) 0.1050(7) 0.126(6) Uani 1.00 d . . . C(37) C 0.259(2) 0.445(1) 0.0639(8) 0.19(1) Uani 1.00 d . . . C(38) C 0.087(1) 0.593(2) 0.0437(8) 0.22(1) Uani 1.00 d . . . C(39) C 0.159(1) 0.825(2) 0.0728(8) 0.169(9) Uani 1.00 d . . . H(1) H 0.4179 0.9850 0.2630 0.0954 Uiso 1.00 calc . . . H(2) H 0.3224 0.9591 0.2126 0.0954 Uiso 1.00 calc . . . H(3) H 0.3365 1.0638 0.2511 0.0954 Uiso 1.00 calc . . . H(4) H 0.5117 0.8272 0.3965 0.0997 Uiso 1.00 calc . . . H(5) H 0.5109 0.9243 0.3529 0.0997 Uiso 1.00 calc . . . H(6) H 0.5141 0.9391 0.4253 0.0997 Uiso 1.00 calc . . . H(7) H 0.3192 0.8044 0.4885 0.0870 Uiso 1.00 calc . . . H(8) H 0.4053 0.7611 0.4725 0.0870 Uiso 1.00 calc . . . H(9) H 0.4072 0.8733 0.5007 0.0870 Uiso 1.00 calc . . . H(10) H 0.1253 0.9250 0.3981 0.0890 Uiso 1.00 calc . . . H(11) H 0.1109 0.8165 0.3637 0.0890 Uiso 1.00 calc . . . H(12) H 0.1760 0.8271 0.4352 0.0890 Uiso 1.00 calc . . . H(13) H 0.1508 1.0424 0.2542 0.0885 Uiso 1.00 calc . . . H(14) H 0.1407 0.9350 0.2188 0.0885 Uiso 1.00 calc . . . H(15) H 0.0943 0.9532 0.2730 0.0885 Uiso 1.00 calc . . . H(16) H 0.4260 0.8097 0.1522 0.1468 Uiso 1.00 calc . . . H(17) H 0.4146 0.8207 0.0781 0.1468 Uiso 1.00 calc . . . H(18) H 0.3496 0.8822 0.1084 0.1468 Uiso 1.00 calc . . . H(19) H 0.4460 0.5169 0.1010 0.1507 Uiso 1.00 calc . . . H(20) H 0.4677 0.6228 0.0733 0.1507 Uiso 1.00 calc . . . H(21) H 0.4813 0.6113 0.1477 0.1507 Uiso 1.00 calc . . . H(22) H 0.2320 0.4129 0.0936 0.2303 Uiso 1.00 calc . . . H(23) H 0.2230 0.4287 0.0203 0.2303 Uiso 1.00 calc . . . H(24) H 0.3203 0.4191 0.0718 0.2303 Uiso 1.00 calc . . . H(25) H 0.0473 0.6508 0.0421 0.2580 Uiso 1.00 calc . . . H(26) H 0.0733 0.5624 0.0013 0.2580 Uiso 1.00 calc . . . H(27) H 0.0783 0.5421 0.0736 0.2580 Uiso 1.00 calc . . . H(28) H 0.1958 0.8862 0.0832 0.2032 Uiso 1.00 calc . . . H(29) H 0.1181 0.8296 0.0292 0.2032 Uiso 1.00 calc . . . H(30) H 0.1235 0.8179 0.1022 0.2032 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) 0.0466(4) 0.0449(4) 0.0359(3) 0.0011(4) 0.0120(3) -0.0004(3) Rh(2) 0.0525(4) 0.0597(5) 0.0387(4) -0.0107(4) 0.0152(3) -0.0069(4) Cl(1) 0.094(2) 0.065(2) 0.069(2) 0.000(2) 0.024(2) -0.014(2) Cl(2) 0.384(10) 0.132(4) 0.093(4) -0.119(5) -0.014(5) 0.023(3) S(1) 0.038(1) 0.052(1) 0.050(1) -0.003(1) 0.0139(10) 0.000(1) S(2) 0.040(1) 0.054(1) 0.058(1) -0.004(1) 0.012(1) 0.000(1) O(1) 0.22(1) 0.072(7) 0.16(1) -0.024(7) 0.094(9) -0.056(7) O(2) 0.123(9) 0.16(1) 0.31(2) -0.029(9) 0.09(1) -0.13(1) O(3) 0.36(2) 0.14(1) 0.25(2) -0.07(1) 0.20(2) -0.01(1) O(4) 0.28(2) 0.13(1) 0.14(1) 0.05(1) -0.10(1) -0.039(9) O(5) 0.44(3) 0.24(2) 0.085(10) -0.01(2) 0.01(1) -0.03(1) O(6) 0.39(3) 0.21(2) 0.15(1) -0.04(2) 0.03(2) 0.10(1) C(10) 0.073(7) 0.043(5) 0.054(6) -0.008(5) 0.028(5) -0.004(4) C(11) 0.047(5) 0.058(6) 0.051(6) -0.011(4) 0.014(4) -0.015(5) C(12) 0.053(5) 0.053(6) 0.043(5) 0.001(5) 0.011(4) -0.015(4) C(13) 0.046(5) 0.054(6) 0.046(5) 0.004(4) 0.010(4) -0.008(4) C(14) 0.056(5) 0.045(5) 0.047(5) 0.004(4) 0.013(4) 0.002(4) C(15) 0.100(9) 0.065(7) 0.079(8) -0.013(7) 0.035(7) 0.005(6) C(16) 0.054(6) 0.099(9) 0.090(9) -0.010(6) 0.014(6) -0.024(7) C(17) 0.068(7) 0.101(9) 0.038(5) 0.005(6) 0.000(5) 0.000(6) C(18) 0.066(7) 0.089(8) 0.079(8) 0.001(6) 0.039(6) 0.002(7) C(19) 0.069(7) 0.071(8) 0.071(7) 0.020(6) 0.007(6) 0.005(6) C(30) 0.066(6) 0.082(8) 0.035(5) -0.010(6) 0.018(4) 0.004(5) C(31) 0.069(7) 0.093(9) 0.045(6) 0.006(6) 0.024(5) -0.002(6) C(32) 0.16(1) 0.09(1) 0.047(6) -0.05(1) 0.045(8) -0.038(7) C(33) 0.058(7) 0.19(2) 0.040(6) -0.031(9) 0.012(5) -0.011(8) C(34) 0.067(7) 0.13(1) 0.043(6) 0.024(8) 0.024(5) 0.019(7) C(35) 0.18(2) 0.13(1) 0.066(9) -0.07(1) 0.049(9) 0.002(8) C(36) 0.096(10) 0.19(2) 0.10(1) 0.07(1) 0.046(9) 0.03(1) C(37) 0.38(3) 0.13(2) 0.09(1) -0.09(2) 0.11(2) -0.06(1) C(38) 0.08(1) 0.44(4) 0.11(1) -0.13(2) 0.005(9) -0.02(2) C(39) 0.18(2) 0.24(2) 0.11(1) 0.15(2) 0.08(1) 0.09(1) #------------------------------------------------------------------------------ _refine_special_details ; Refinement based on F against all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F, conventional R-factors (R) are calculated on F, with F set to zero for negative F. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. thus the refinement was done using all reflections. ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 4700 _refine_ls_number_parameters 393 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0530 _refine_ls_R_factor_gt 0.0530 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_ref 0.0701 _refine_ls_wR_factor_gt 0.0701 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_ref 2.115 _refine_ls_shift/su_max 0.0070 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -0.84 _refine_diff_density_max 1.08 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh(1) S(1) 2.449(2) 1_555 1_555 yes Rh(1) S(2) 2.446(2) 1_555 1_555 yes Rh(1) N(1a) 2.09(1) 1_555 1_555 yes Rh(1) N(1b) 2.20(2) 1_555 1_555 yes Rh(1) C(10) 2.149(9) 1_555 1_555 yes Rh(1) C(11) 2.153(9) 1_555 1_555 yes Rh(1) C(12) 2.171(8) 1_555 1_555 yes Rh(1) C(13) 2.144(9) 1_555 1_555 yes Rh(1) C(14) 2.172(9) 1_555 1_555 yes Rh(2) S(1) 2.430(2) 1_555 1_555 yes Rh(2) S(2) 2.447(3) 1_555 1_555 yes Rh(2) N(21a) 2.11(1) 1_555 1_555 yes Rh(2) N(21b) 2.17(2) 1_555 1_555 yes Rh(2) C(30) 2.152(9) 1_555 1_555 yes Rh(2) C(31) 2.141(10) 1_555 1_555 yes Rh(2) C(32) 2.15(1) 1_555 1_555 yes Rh(2) C(33) 2.14(1) 1_555 1_555 yes Rh(2) C(34) 2.14(1) 1_555 1_555 yes Cl(1) O(1) 1.397(9) 1_555 1_555 yes Cl(1) O(2) 1.34(1) 1_555 1_555 yes Cl(1) O(3) 1.36(1) 1_555 1_555 yes Cl(1) O(4) 1.34(1) 1_555 1_555 yes Cl(2) O(5) 1.30(1) 1_555 1_555 yes Cl(2) O(6) 1.26(1) 1_555 1_555 yes Cl(2) O(7) 1.249(5) 1_555 1_555 yes Cl(2) O(8a) 1.501(8) 1_555 1_555 yes Cl(2) O(8b) 1.744(9) 1_555 1_555 yes S(1) C(2a) 1.68(2) 1_555 1_555 yes S(1) C(2b) 1.80(2) 1_555 1_555 yes S(2) C(22a) 1.72(2) 1_555 1_555 yes S(2) C(22b) 1.71(2) 1_555 1_555 yes O(7) O(8a) 1.5372(2) 1_555 1_555 yes O(8a) O(8b) 1.6035(1) 1_555 1_555 yes N(1a) N(1b) 1.53(2) 1_555 1_555 yes N(1a) C(2a) 1.46(2) 1_555 1_555 yes N(1a) C(6a) 1.46(2) 1_555 1_555 yes N(1b) C(22b) 1.22(3) 1_555 1_555 yes N(1b) C(26b) 1.33(3) 1_555 1_555 yes N(3) C(2a) 1.26(2) 1_555 1_555 yes N(3) C(2b) 1.28(2) 1_555 1_555 yes N(3) C(4a) 1.28(2) 1_555 1_555 yes N(3) C(4b) 1.38(3) 1_555 1_555 yes N(21a) N(21b) 1.45(2) 1_555 1_555 yes N(21a) C(22a) 1.43(2) 1_555 1_555 yes N(21a) C(26a) 1.39(2) 1_555 1_555 yes N(21b) C(2b) 1.25(2) 1_555 1_555 yes N(21b) C(6b) 1.33(3) 1_555 1_555 yes N(21b) C(26a) 1.71(3) 1_555 1_555 yes N(23) C(22a) 1.22(2) 1_555 1_555 yes N(23) C(22b) 1.32(2) 1_555 1_555 yes N(23) C(24a) 1.24(2) 1_555 1_555 yes N(23) C(24b) 1.46(4) 1_555 1_555 yes C(2a) C(2b) 0.89(2) 1_555 1_555 yes C(4a) C(4b) 0.87(3) 1_555 1_555 yes C(4a) C(5a) 1.45(3) 1_555 1_555 yes C(4a) C(7a) 1.45(3) 1_555 1_555 yes C(4a) C(7b) 1.44(4) 1_555 1_555 yes C(4b) C(5b) 1.25(3) 1_555 1_555 yes C(4b) C(7a) 1.38(3) 1_555 1_555 yes C(4b) C(7b) 1.72(5) 1_555 1_555 yes C(5a) C(6a) 1.42(3) 1_555 1_555 yes C(5b) C(6b) 1.38(3) 1_555 1_555 yes C(6a) C(26b) 1.19(3) 1_555 1_555 yes C(6b) C(26a) 0.98(3) 1_555 1_555 yes C(7a) C(7b) 0.64(4) 1_555 1_555 yes C(10) C(11) 1.45(1) 1_555 1_555 yes C(10) C(14) 1.41(1) 1_555 1_555 yes C(10) C(15) 1.49(1) 1_555 1_555 yes C(11) C(12) 1.40(1) 1_555 1_555 yes C(11) C(16) 1.51(1) 1_555 1_555 yes C(12) C(13) 1.47(1) 1_555 1_555 yes C(12) C(17) 1.48(1) 1_555 1_555 yes C(13) C(14) 1.41(1) 1_555 1_555 yes C(13) C(18) 1.51(1) 1_555 1_555 yes C(14) C(19) 1.48(1) 1_555 1_555 yes C(22a) C(22b) 0.80(2) 1_555 1_555 yes C(24a) C(24b) 0.82(4) 1_555 1_555 yes C(24a) C(25a) 1.53(3) 1_555 1_555 yes C(24a) C(25b) 1.79(3) 1_555 1_555 yes C(24a) C(27a) 1.56(3) 1_555 1_555 yes C(24a) C(27b) 1.43(4) 1_555 1_555 yes C(24b) C(25b) 1.01(4) 1_555 1_555 yes C(24b) C(27a) 1.49(4) 1_555 1_555 yes C(24b) C(27b) 1.79(6) 1_555 1_555 yes C(25a) C(26a) 1.43(3) 1_555 1_555 yes C(25b) C(26b) 1.35(4) 1_555 1_555 yes C(27a) C(27b) 0.84(4) 1_555 1_555 yes C(30) C(31) 1.41(1) 1_555 1_555 yes C(30) C(34) 1.41(1) 1_555 1_555 yes C(30) C(35) 1.47(2) 1_555 1_555 yes C(31) C(32) 1.46(2) 1_555 1_555 yes C(31) C(36) 1.50(2) 1_555 1_555 yes C(32) C(33) 1.40(2) 1_555 1_555 yes C(32) C(37) 1.52(2) 1_555 1_555 yes C(33) C(34) 1.40(2) 1_555 1_555 yes C(33) C(38) 1.50(2) 1_555 1_555 yes C(34) C(39) 1.48(2) 1_555 1_555 yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag S(1) Rh(1) S(2) 84.85(8) 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) 66.7(4) 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) 93.1(4) 1_555 1_555 1_555 yes S(1) Rh(1) C(10) 102.2(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(11) 98.7(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(12) 127.3(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(13) 163.7(2) 1_555 1_555 1_555 yes S(1) Rh(1) C(14) 135.2(2) 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) 93.8(4) 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) 63.9(4) 1_555 1_555 1_555 yes S(2) Rh(1) C(10) 117.4(3) 1_555 1_555 1_555 yes S(2) Rh(1) C(11) 156.8(3) 1_555 1_555 1_555 yes S(2) Rh(1) C(12) 147.7(2) 1_555 1_555 1_555 yes S(2) Rh(1) C(13) 109.4(2) 1_555 1_555 1_555 yes S(2) Rh(1) C(14) 96.6(2) 1_555 1_555 1_555 yes N(1a) Rh(1) N(1b) 41.7(5) 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) 146.5(4) 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) 108.7(5) 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) 96.2(4) 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) 118.5(4) 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) 156.5(4) 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) 164.6(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) 138.2(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) 105.8(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) 100.3(5) 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) 127.8(5) 1_555 1_555 1_555 yes C(10) Rh(1) C(11) 39.4(3) 1_555 1_555 1_555 yes C(10) Rh(1) C(12) 64.5(4) 1_555 1_555 1_555 yes C(10) Rh(1) C(13) 64.5(3) 1_555 1_555 1_555 yes C(10) Rh(1) C(14) 38.2(3) 1_555 1_555 1_555 yes C(11) Rh(1) C(12) 37.7(3) 1_555 1_555 1_555 yes C(11) Rh(1) C(13) 65.1(3) 1_555 1_555 1_555 yes C(11) Rh(1) C(14) 64.7(3) 1_555 1_555 1_555 yes C(12) Rh(1) C(13) 39.7(3) 1_555 1_555 1_555 yes C(12) Rh(1) C(14) 64.5(3) 1_555 1_555 1_555 yes C(13) Rh(1) C(14) 38.0(3) 1_555 1_555 1_555 yes S(1) Rh(2) S(2) 85.22(8) 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) 92.1(4) 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) 66.2(4) 1_555 1_555 1_555 yes S(1) Rh(2) C(30) 97.0(3) 1_555 1_555 1_555 yes S(1) Rh(2) C(31) 101.7(3) 1_555 1_555 1_555 yes S(1) Rh(2) C(32) 137.3(5) 1_555 1_555 1_555 yes S(1) Rh(2) C(33) 161.3(4) 1_555 1_555 1_555 yes S(1) Rh(2) C(34) 125.0(4) 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) 65.9(4) 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) 93.9(4) 1_555 1_555 1_555 yes S(2) Rh(2) C(30) 125.4(3) 1_555 1_555 1_555 yes S(2) Rh(2) C(31) 162.4(3) 1_555 1_555 1_555 yes S(2) Rh(2) C(32) 137.3(5) 1_555 1_555 1_555 yes S(2) Rh(2) C(33) 103.7(4) 1_555 1_555 1_555 yes S(2) Rh(2) C(34) 98.1(3) 1_555 1_555 1_555 yes N(21a) Rh(2) N(21b) 39.6(5) 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) 166.0(5) 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) 129.2(5) 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) 101.8(5) 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) 106.6(6) 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) 139.3(5) 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) 136.9(5) 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) 103.7(5) 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) 100.4(6) 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) 128.4(7) 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) 164.1(6) 1_555 1_555 1_555 yes C(30) Rh(2) C(31) 38.3(4) 1_555 1_555 1_555 yes C(30) Rh(2) C(32) 64.4(4) 1_555 1_555 1_555 yes C(30) Rh(2) C(33) 64.4(5) 1_555 1_555 1_555 yes C(30) Rh(2) C(34) 38.3(4) 1_555 1_555 1_555 yes C(31) Rh(2) C(32) 39.7(5) 1_555 1_555 1_555 yes C(31) Rh(2) C(33) 65.3(4) 1_555 1_555 1_555 yes C(31) Rh(2) C(34) 64.6(4) 1_555 1_555 1_555 yes C(32) Rh(2) C(33) 38.0(5) 1_555 1_555 1_555 yes C(32) Rh(2) C(34) 63.7(5) 1_555 1_555 1_555 yes C(33) Rh(2) C(34) 38.2(5) 1_555 1_555 1_555 yes O(1) Cl(1) O(2) 111.9(8) 1_555 1_555 1_555 yes O(1) Cl(1) O(3) 110.1(8) 1_555 1_555 1_555 yes O(1) Cl(1) O(4) 111.7(8) 1_555 1_555 1_555 yes O(2) Cl(1) O(3) 109(1) 1_555 1_555 1_555 yes O(2) Cl(1) O(4) 107.2(10) 1_555 1_555 1_555 yes O(3) Cl(1) O(4) 106(1) 1_555 1_555 1_555 yes O(5) Cl(2) O(6) 120(1) 1_555 1_555 1_555 yes O(5) Cl(2) O(7) 112(1) 1_555 1_555 1_555 yes O(5) Cl(2) O(8a) 117(1) 1_555 1_555 1_555 yes O(5) Cl(2) O(8b) 89(1) 1_555 1_555 1_555 yes O(6) Cl(2) O(7) 115(1) 1_555 1_555 1_555 yes O(6) Cl(2) O(8a) 113(1) 1_555 1_555 1_555 yes O(6) Cl(2) O(8b) 90(1) 1_555 1_555 1_555 yes O(7) Cl(2) O(8a) 67.3(3) 1_555 1_555 1_555 yes O(7) Cl(2) O(8b) 125.7(5) 1_555 1_555 1_555 yes O(8a) Cl(2) O(8b) 58.7(3) 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) 94.53(8) 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) 83.7(6) 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) 104.5(6) 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) 101.9(6) 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) 79.7(6) 1_555 1_555 1_555 yes C(2a) S(1) C(2b) 29.4(7) 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) 94.20(8) 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) 100.9(6) 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) 80.3(8) 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) 84.3(6) 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) 103.1(8) 1_555 1_555 1_555 yes C(22a) S(2) C(22b) 27.0(8) 1_555 1_555 1_555 yes Cl(2) O(7) O(8a) 64.2(4) 1_555 1_555 1_555 yes Cl(2) O(8a) O(7) 48.5(3) 1_555 1_555 1_555 yes Cl(2) O(8a) O(8b) 68.3(3) 1_555 1_555 1_555 yes O(7) O(8a) O(8b) 116.647(8) 1_555 1_555 1_555 yes Cl(2) O(8b) O(8a) 53.1(2) 1_555 1_555 1_555 yes Rh(1) N(1a) N(1b) 73.1(8) 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) 103(1) 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) 135(1) 1_555 1_555 1_555 yes N(1b) N(1a) C(2a) 123(1) 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) 81(1) 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) 120(1) 1_555 1_555 1_555 yes Rh(1) N(1b) N(1a) 65.2(7) 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) 102(1) 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) 137(1) 1_555 1_555 1_555 yes N(1a) N(1b) C(22b) 130(1) 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) 84(1) 1_555 1_555 1_555 yes C(22b) N(1b) C(26b) 119(2) 1_555 1_555 1_555 yes C(2a) N(3) C(2b) 41(1) 1_555 1_555 1_555 yes C(2a) N(3) C(4a) 128(1) 1_555 1_555 1_555 yes C(2a) N(3) C(4b) 140(1) 1_555 1_555 1_555 yes C(2b) N(3) C(4a) 138(1) 1_555 1_555 1_555 yes C(2b) N(3) C(4b) 116(1) 1_555 1_555 1_555 yes C(4a) N(3) C(4b) 37(1) 1_555 1_555 1_555 yes Rh(2) N(21a) N(21b) 72.3(9) 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) 105(1) 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) 132(1) 1_555 1_555 1_555 yes N(21b) N(21a) C(22a) 130(1) 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) 73(1) 1_555 1_555 1_555 yes C(22a) N(21a) C(26a) 121(1) 1_555 1_555 1_555 yes Rh(2) N(21b) N(21a) 68.1(9) 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) 103(1) 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) 139(1) 1_555 1_555 1_555 yes Rh(2) N(21b) C(26a) 111(1) 1_555 1_555 1_555 yes N(21a) N(21b) C(2b) 127(1) 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) 86(1) 1_555 1_555 1_555 yes N(21a) N(21b) C(26a) 51.4(10) 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) 116(1) 1_555 1_555 1_555 yes C(2b) N(21b) C(26a) 135(1) 1_555 1_555 1_555 yes C(6b) N(21b) C(26a) 35(1) 1_555 1_555 1_555 yes C(22a) N(23) C(22b) 36(1) 1_555 1_555 1_555 yes C(22a) N(23) C(24a) 131(1) 1_555 1_555 1_555 yes C(22a) N(23) C(24b) 131(1) 1_555 1_555 1_555 yes C(22b) N(23) C(24a) 137(1) 1_555 1_555 1_555 yes C(22b) N(23) C(24b) 112(2) 1_555 1_555 1_555 yes C(24a) N(23) C(24b) 34(1) 1_555 1_555 1_555 yes S(1) C(2a) N(1a) 106(1) 1_555 1_555 1_555 yes S(1) C(2a) N(3) 135(1) 1_555 1_555 1_555 yes S(1) C(2a) C(2b) 82(1) 1_555 1_555 1_555 yes N(1a) C(2a) N(3) 117(1) 1_555 1_555 1_555 yes N(1a) C(2a) C(2b) 139(2) 1_555 1_555 1_555 yes N(3) C(2a) C(2b) 70(1) 1_555 1_555 1_555 yes S(1) C(2b) N(3) 123(1) 1_555 1_555 1_555 yes S(1) C(2b) N(21b) 110(1) 1_555 1_555 1_555 yes S(1) C(2b) C(2a) 67(1) 1_555 1_555 1_555 yes N(3) C(2b) N(21b) 126(1) 1_555 1_555 1_555 yes N(3) C(2b) C(2a) 68(1) 1_555 1_555 1_555 yes N(21b) C(2b) C(2a) 142(2) 1_555 1_555 1_555 yes N(3) C(4a) C(4b) 77(2) 1_555 1_555 1_555 yes N(3) C(4a) C(5a) 117(1) 1_555 1_555 1_555 yes N(3) C(4a) C(7a) 125(1) 1_555 1_555 1_555 yes N(3) C(4a) C(7b) 136(2) 1_555 1_555 1_555 yes C(4b) C(4a) C(5a) 140(2) 1_555 1_555 1_555 yes C(4b) C(4a) C(7a) 67(2) 1_555 1_555 1_555 yes C(4b) C(4a) C(7b) 93(2) 1_555 1_555 1_555 yes C(5a) C(4a) C(7a) 116(1) 1_555 1_555 1_555 yes C(5a) C(4a) C(7b) 96(2) 1_555 1_555 1_555 yes C(7a) C(4a) C(7b) 25(1) 1_555 1_555 1_555 yes N(3) C(4b) C(4a) 64(2) 1_555 1_555 1_555 yes N(3) C(4b) C(5b) 120(2) 1_555 1_555 1_555 yes N(3) C(4b) C(7a) 122(2) 1_555 1_555 1_555 yes N(3) C(4b) C(7b) 108(2) 1_555 1_555 1_555 yes C(4a) C(4b) C(5b) 142(3) 1_555 1_555 1_555 yes C(4a) C(4b) C(7a) 76(2) 1_555 1_555 1_555 yes C(4a) C(4b) C(7b) 56(2) 1_555 1_555 1_555 yes C(5b) C(4b) C(7a) 115(2) 1_555 1_555 1_555 yes C(5b) C(4b) C(7b) 130(2) 1_555 1_555 1_555 yes C(7a) C(4b) C(7b) 20(1) 1_555 1_555 1_555 yes C(4a) C(5a) C(6a) 121(1) 1_555 1_555 1_555 yes C(4b) C(5b) C(6b) 118(2) 1_555 1_555 1_555 yes N(1a) C(6a) C(5a) 112(1) 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) 92(2) 1_555 1_555 1_555 yes C(5a) C(6a) C(26b) 115(2) 1_555 1_555 1_555 yes N(21b) C(6b) C(5b) 121(2) 1_555 1_555 1_555 yes N(21b) C(6b) C(26a) 94(2) 1_555 1_555 1_555 yes C(5b) C(6b) C(26a) 118(2) 1_555 1_555 1_555 yes C(4a) C(7a) C(4b) 35(1) 1_555 1_555 1_555 yes C(4a) C(7a) C(7b) 75(5) 1_555 1_555 1_555 yes C(4b) C(7a) C(7b) 111(5) 1_555 1_555 1_555 yes C(4a) C(7b) C(4b) 30(1) 1_555 1_555 1_555 yes C(4a) C(7b) C(7a) 78(5) 1_555 1_555 1_555 yes C(4b) C(7b) C(7a) 48(4) 1_555 1_555 1_555 yes Rh(1) C(10) C(11) 70.5(5) 1_555 1_555 1_555 yes Rh(1) C(10) C(14) 71.8(5) 1_555 1_555 1_555 yes Rh(1) C(10) C(15) 127.4(7) 1_555 1_555 1_555 yes C(11) C(10) C(14) 107.9(8) 1_555 1_555 1_555 yes C(11) C(10) C(15) 124.8(9) 1_555 1_555 1_555 yes C(14) C(10) C(15) 127.0(9) 1_555 1_555 1_555 yes Rh(1) C(11) C(10) 70.1(5) 1_555 1_555 1_555 yes Rh(1) C(11) C(12) 71.8(5) 1_555 1_555 1_555 yes Rh(1) C(11) C(16) 126.7(7) 1_555 1_555 1_555 yes C(10) C(11) C(12) 108.0(8) 1_555 1_555 1_555 yes C(10) C(11) C(16) 127.5(9) 1_555 1_555 1_555 yes C(12) C(11) C(16) 124.4(9) 1_555 1_555 1_555 yes Rh(1) C(12) C(11) 70.5(5) 1_555 1_555 1_555 yes Rh(1) C(12) C(13) 69.2(5) 1_555 1_555 1_555 yes Rh(1) C(12) C(17) 127.3(7) 1_555 1_555 1_555 yes C(11) C(12) C(13) 107.7(8) 1_555 1_555 1_555 yes C(11) C(12) C(17) 126.0(9) 1_555 1_555 1_555 yes C(13) C(12) C(17) 126.3(9) 1_555 1_555 1_555 yes Rh(1) C(13) C(12) 71.1(5) 1_555 1_555 1_555 yes Rh(1) C(13) C(14) 72.1(5) 1_555 1_555 1_555 yes Rh(1) C(13) C(18) 127.2(7) 1_555 1_555 1_555 yes C(12) C(13) C(14) 107.5(8) 1_555 1_555 1_555 yes C(12) C(13) C(18) 125.3(9) 1_555 1_555 1_555 yes C(14) C(13) C(18) 126.8(9) 1_555 1_555 1_555 yes Rh(1) C(14) C(10) 70.0(5) 1_555 1_555 1_555 yes Rh(1) C(14) C(13) 69.9(5) 1_555 1_555 1_555 yes Rh(1) C(14) C(19) 126.7(7) 1_555 1_555 1_555 yes C(10) C(14) C(13) 108.7(8) 1_555 1_555 1_555 yes C(10) C(14) C(19) 125.8(9) 1_555 1_555 1_555 yes C(13) C(14) C(19) 125.4(9) 1_555 1_555 1_555 yes C(10) C(15) H(1) 109(1) 1_555 1_555 1_555 no C(10) C(15) H(2) 109.5(10) 1_555 1_555 1_555 no C(10) C(15) H(3) 109(1) 1_555 1_555 1_555 no H(1) C(15) H(2) 109(1) 1_555 1_555 1_555 no H(1) C(15) H(3) 109(1) 1_555 1_555 1_555 no H(2) C(15) H(3) 109(1) 1_555 1_555 1_555 no C(11) C(16) H(4) 109(1) 1_555 1_555 1_555 no C(11) C(16) H(5) 109(1) 1_555 1_555 1_555 no C(11) C(16) H(6) 109.5(10) 1_555 1_555 1_555 no H(4) C(16) H(5) 109(1) 1_555 1_555 1_555 no H(4) C(16) H(6) 109(1) 1_555 1_555 1_555 no H(5) C(16) H(6) 109(1) 1_555 1_555 1_555 no C(12) C(17) H(7) 109.5(9) 1_555 1_555 1_555 no C(12) C(17) H(8) 109.5(9) 1_555 1_555 1_555 no C(12) C(17) H(9) 109(1) 1_555 1_555 1_555 no H(7) C(17) H(8) 109(1) 1_555 1_555 1_555 no H(7) C(17) H(9) 109(1) 1_555 1_555 1_555 no H(8) C(17) H(9) 109.5(10) 1_555 1_555 1_555 no C(13) C(18) H(10) 109.5(10) 1_555 1_555 1_555 no C(13) C(18) H(11) 109.5(9) 1_555 1_555 1_555 no C(13) C(18) H(12) 109.5(9) 1_555 1_555 1_555 no H(10) C(18) H(11) 109(1) 1_555 1_555 1_555 no H(10) C(18) H(12) 109(1) 1_555 1_555 1_555 no H(11) C(18) H(12) 109(1) 1_555 1_555 1_555 no C(14) C(19) H(13) 109.5(10) 1_555 1_555 1_555 no C(14) C(19) H(14) 109.5(9) 1_555 1_555 1_555 no C(14) C(19) H(15) 109.5(10) 1_555 1_555 1_555 no H(13) C(19) H(14) 109(1) 1_555 1_555 1_555 no H(13) C(19) H(15) 109(1) 1_555 1_555 1_555 no H(14) C(19) H(15) 109(1) 1_555 1_555 1_555 no S(2) C(22a) N(21a) 104(1) 1_555 1_555 1_555 yes S(2) C(22a) N(23) 136(1) 1_555 1_555 1_555 yes S(2) C(22a) C(22b) 76(2) 1_555 1_555 1_555 yes N(21a) C(22a) N(23) 118(1) 1_555 1_555 1_555 yes N(21a) C(22a) C(22b) 138(2) 1_555 1_555 1_555 yes N(23) C(22a) C(22b) 78(2) 1_555 1_555 1_555 yes S(2) C(22b) N(1b) 113(1) 1_555 1_555 1_555 yes S(2) C(22b) N(23) 127(1) 1_555 1_555 1_555 yes S(2) C(22b) C(22a) 76(2) 1_555 1_555 1_555 yes N(1b) C(22b) N(23) 119(1) 1_555 1_555 1_555 yes N(1b) C(22b) C(22a) 142(3) 1_555 1_555 1_555 yes N(23) C(22b) C(22a) 64(2) 1_555 1_555 1_555 yes N(23) C(24a) C(24b) 87(3) 1_555 1_555 1_555 yes N(23) C(24a) C(25a) 111(1) 1_555 1_555 1_555 yes N(23) C(24a) C(25b) 94(1) 1_555 1_555 1_555 yes N(23) C(24a) C(27a) 133(1) 1_555 1_555 1_555 yes N(23) C(24a) C(27b) 133(2) 1_555 1_555 1_555 yes C(24b) C(24a) C(25a) 125(3) 1_555 1_555 1_555 yes C(24b) C(24a) C(25b) 13(3) 1_555 1_555 1_555 yes C(24b) C(24a) C(27a) 69(3) 1_555 1_555 1_555 yes C(24b) C(24a) C(27b) 102(3) 1_555 1_555 1_555 yes C(25a) C(24a) C(25b) 111(1) 1_555 1_555 1_555 yes C(25a) C(24a) C(27a) 115(1) 1_555 1_555 1_555 yes C(25a) C(24a) C(27b) 99(2) 1_555 1_555 1_555 yes C(25b) C(24a) C(27a) 73(1) 1_555 1_555 1_555 yes C(25b) C(24a) C(27b) 105(2) 1_555 1_555 1_555 yes C(27a) C(24a) C(27b) 32(1) 1_555 1_555 1_555 yes N(23) C(24b) C(24a) 57(3) 1_555 1_555 1_555 yes N(23) C(24b) C(25b) 130(4) 1_555 1_555 1_555 yes N(23) C(24b) C(27a) 120(3) 1_555 1_555 1_555 yes N(23) C(24b) C(27b) 97(2) 1_555 1_555 1_555 yes C(24a) C(24b) C(25b) 154(5) 1_555 1_555 1_555 yes C(24a) C(24b) C(27a) 78(3) 1_555 1_555 1_555 yes C(24a) C(24b) C(27b) 51(3) 1_555 1_555 1_555 yes C(25b) C(24b) C(27a) 105(4) 1_555 1_555 1_555 yes C(25b) C(24b) C(27b) 131(4) 1_555 1_555 1_555 yes C(27a) C(24b) C(27b) 27(1) 1_555 1_555 1_555 yes C(24a) C(25a) C(26a) 122(1) 1_555 1_555 1_555 yes C(24a) C(25b) C(24b) 11(2) 1_555 1_555 1_555 yes C(24a) C(25b) C(26b) 115(2) 1_555 1_555 1_555 yes C(24b) C(25b) C(26b) 114(3) 1_555 1_555 1_555 yes N(21a) C(26a) N(21b) 54(1) 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) 105(2) 1_555 1_555 1_555 yes N(21a) C(26a) C(25a) 111(1) 1_555 1_555 1_555 yes N(21b) C(26a) C(6b) 50(1) 1_555 1_555 1_555 yes N(21b) C(26a) C(25a) 137(1) 1_555 1_555 1_555 yes C(6b) C(26a) C(25a) 120(2) 1_555 1_555 1_555 yes N(1b) C(26b) C(6a) 100(2) 1_555 1_555 1_555 yes N(1b) C(26b) C(25b) 123(2) 1_555 1_555 1_555 yes C(6a) C(26b) C(25b) 120(2) 1_555 1_555 1_555 yes C(24a) C(27a) C(24b) 31(1) 1_555 1_555 1_555 yes C(24a) C(27a) C(27b) 65(3) 1_555 1_555 1_555 yes C(24b) C(27a) C(27b) 96(4) 1_555 1_555 1_555 yes C(24a) C(27b) C(24b) 26(1) 1_555 1_555 1_555 yes C(24a) C(27b) C(27a) 82(3) 1_555 1_555 1_555 yes C(24b) C(27b) C(27a) 55(3) 1_555 1_555 1_555 yes Rh(2) C(30) C(31) 70.5(6) 1_555 1_555 1_555 yes Rh(2) C(30) C(34) 70.5(6) 1_555 1_555 1_555 yes Rh(2) C(30) C(35) 126.9(7) 1_555 1_555 1_555 yes C(31) C(30) C(34) 108(1) 1_555 1_555 1_555 yes C(31) C(30) C(35) 122(1) 1_555 1_555 1_555 yes C(34) C(30) C(35) 128(1) 1_555 1_555 1_555 yes Rh(2) C(31) C(30) 71.3(6) 1_555 1_555 1_555 yes Rh(2) C(31) C(32) 70.4(6) 1_555 1_555 1_555 yes Rh(2) C(31) C(36) 127.6(8) 1_555 1_555 1_555 yes C(30) C(31) C(32) 106(1) 1_555 1_555 1_555 yes C(30) C(31) C(36) 125(1) 1_555 1_555 1_555 yes C(32) C(31) C(36) 128(1) 1_555 1_555 1_555 yes Rh(2) C(32) C(31) 69.9(6) 1_555 1_555 1_555 yes Rh(2) C(32) C(33) 70.6(7) 1_555 1_555 1_555 yes Rh(2) C(32) C(37) 124.3(10) 1_555 1_555 1_555 yes C(31) C(32) C(33) 108(1) 1_555 1_555 1_555 yes C(31) C(32) C(37) 125(1) 1_555 1_555 1_555 yes C(33) C(32) C(37) 126(1) 1_555 1_555 1_555 yes Rh(2) C(33) C(32) 71.4(7) 1_555 1_555 1_555 yes Rh(2) C(33) C(34) 71.1(6) 1_555 1_555 1_555 yes Rh(2) C(33) C(38) 126.0(10) 1_555 1_555 1_555 yes C(32) C(33) C(34) 108(1) 1_555 1_555 1_555 yes C(32) C(33) C(38) 123(1) 1_555 1_555 1_555 yes C(34) C(33) C(38) 128(1) 1_555 1_555 1_555 yes Rh(2) C(34) C(30) 71.2(6) 1_555 1_555 1_555 yes Rh(2) C(34) C(33) 70.7(7) 1_555 1_555 1_555 yes Rh(2) C(34) C(39) 125.5(8) 1_555 1_555 1_555 yes C(30) C(34) C(33) 108(1) 1_555 1_555 1_555 yes C(30) C(34) C(39) 127(1) 1_555 1_555 1_555 yes C(33) C(34) C(39) 123(1) 1_555 1_555 1_555 yes C(30) C(35) H(16) 109(1) 1_555 1_555 1_555 no C(30) C(35) H(17) 109(1) 1_555 1_555 1_555 no C(30) C(35) H(18) 109(1) 1_555 1_555 1_555 no H(16) C(35) H(17) 109(1) 1_555 1_555 1_555 no H(16) C(35) H(18) 109(1) 1_555 1_555 1_555 no H(17) C(35) H(18) 109(1) 1_555 1_555 1_555 no C(31) C(36) H(19) 109(1) 1_555 1_555 1_555 no C(31) C(36) H(20) 109(1) 1_555 1_555 1_555 no C(31) C(36) H(21) 109(1) 1_555 1_555 1_555 no H(19) C(36) H(20) 109(1) 1_555 1_555 1_555 no H(19) C(36) H(21) 109(1) 1_555 1_555 1_555 no H(20) C(36) H(21) 109(1) 1_555 1_555 1_555 no C(32) C(37) H(22) 109(1) 1_555 1_555 1_555 no C(32) C(37) H(23) 109(1) 1_555 1_555 1_555 no C(32) C(37) H(24) 109(1) 1_555 1_555 1_555 no H(22) C(37) H(23) 109(2) 1_555 1_555 1_555 no H(22) C(37) H(24) 109(2) 1_555 1_555 1_555 no H(23) C(37) H(24) 109(1) 1_555 1_555 1_555 no C(33) C(38) H(25) 109(2) 1_555 1_555 1_555 no C(33) C(38) H(26) 109(1) 1_555 1_555 1_555 no C(33) C(38) H(27) 109(1) 1_555 1_555 1_555 no H(25) C(38) H(26) 109(1) 1_555 1_555 1_555 no H(25) C(38) H(27) 109(1) 1_555 1_555 1_555 no H(26) C(38) H(27) 109(2) 1_555 1_555 1_555 no C(34) C(39) H(28) 109(1) 1_555 1_555 1_555 no C(34) C(39) H(29) 109(1) 1_555 1_555 1_555 no C(34) C(39) H(30) 109(1) 1_555 1_555 1_555 no H(28) C(39) H(29) 109(1) 1_555 1_555 1_555 no H(28) C(39) H(30) 109(1) 1_555 1_555 1_555 no H(29) C(39) H(30) 109(1) 1_555 1_555 1_555 no #------------------------------------------------------------------------------ loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Rh(1) S(1) Rh(2) S(2) -8.31(8) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) N(21a) -73.9(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) N(21b) -104.7(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(30) 116.8(3) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(31) 155.3(3) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(32) 176.1(5) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(33) 111(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) Rh(2) C(34) 88.3(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) N(1a) -4.4(10) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) N(3) -172(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2a) C(2b) 135(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) N(3) -87(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) N(21b) 93(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(1) C(2b) C(2a) -46(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) S(1) 8.32(8) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) N(21a) 102.7(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) N(21b) 74.0(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(30) -86.9(3) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(31) -105(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(32) -176.1(6) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(33) -155.0(5) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) Rh(2) C(34) -116.4(4) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) N(21a) -96(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) N(23) 97(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22a) C(22b) 40(2) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) N(1b) 2(1) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) N(23) 178(2) 1_555 1_555 1_555 1_555 yes Rh(1) S(2) C(22b) C(22a) -139(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) N(1b) C(22b) 85(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) N(1b) C(26b) -150(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) S(1) 5(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) N(3) 175(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(2a) C(2b) -92(3) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) C(5a) -179(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1a) C(6a) C(26b) 61(2) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) N(1a) C(2a) -95(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) N(1a) C(6a) 143(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) S(2) -3(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) N(23) -178(1) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(22b) C(22a) 95(5) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) C(6a) -34(3) 1_555 1_555 1_555 1_555 yes Rh(1) N(1b) C(26b) C(25b) -172(1) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(11) C(12) -62.2(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(11) C(16) 121(1) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(14) C(13) 59.4(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(10) C(14) C(19) -121.4(10) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(10) C(14) 62.4(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(10) C(15) -122.5(10) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(12) C(13) -59.4(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(11) C(12) C(17) 122.5(10) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(11) C(10) 61.1(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(11) C(16) -122.5(10) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(13) C(14) -63.3(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(12) C(13) C(18) 122.7(10) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(12) C(11) 60.2(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(12) C(17) -121.7(10) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(14) C(10) -59.5(7) 1_555 1_555 1_555 1_555 yes Rh(1) C(13) C(14) C(19) 121.4(10) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(10) C(11) -61.6(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(10) C(15) 123(1) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(13) C(12) 62.7(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(14) C(13) C(18) -123.5(10) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) S(2) 8.32(8) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) N(1a) 104.8(4) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) N(1b) 71.7(4) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(10) -108.6(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(11) -148.5(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(12) -175.7(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(13) -143.0(9) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) Rh(1) C(14) -85.8(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) N(1a) -97(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) N(3) 94(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2a) C(2b) 41(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) N(3) 180.0 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) N(21b) 1(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(1) C(2b) C(2a) -138(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) S(1) -8.26(8) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) N(1a) -74.4(4) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) N(1b) -104.3(4) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(10) 92.9(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(11) 91.7(6) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(12) 177.7(5) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(13) 163.5(3) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) Rh(1) C(14) 126.7(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) N(21a) -3.0(10) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) N(23) -168(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22a) C(22b) 134(2) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) N(1b) 95(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) N(23) -89(1) 1_555 1_555 1_555 1_555 yes Rh(2) S(2) C(22b) C(22a) -47(2) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) N(21b) C(2b) 90(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) N(21b) C(6b) -147(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) N(21b) C(26a) -146(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) S(2) 3(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) N(23) 172(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(22a) C(22b) -81(4) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) N(21b) 45(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) C(6b) 47(2) 1_555 1_555 1_555 1_555 yes Rh(2) N(21a) C(26a) C(25a) 179(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) N(21a) C(22a) -95(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) N(21a) C(26a) 146(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) S(1) -1(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) N(3) 179(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(2b) C(2a) 78(4) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) C(5b) -175(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(6b) C(26a) -48(3) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(26a) N(21a) -33(1) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(26a) C(6b) 148(2) 1_555 1_555 1_555 1_555 yes Rh(2) N(21b) C(26a) C(25a) -117(2) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(31) C(32) 62.1(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(31) C(36) -123(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(34) C(33) -61.0(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(30) C(34) C(39) 120(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(30) C(34) -60.4(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(30) C(35) 121.9(9) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(32) C(33) 60.5(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(31) C(32) C(37) -118(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(31) C(30) -62.7(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(31) C(36) 122(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(33) C(34) 61.9(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(32) C(33) C(38) -121(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(32) C(31) -60.1(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(32) C(37) 118(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(34) C(30) 61.3(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(33) C(34) C(39) -120(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(30) C(31) 60.4(7) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(30) C(35) -122(1) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(33) C(32) -62.1(8) 1_555 1_555 1_555 1_555 yes Rh(2) C(34) C(33) C(38) 121(1) 1_555 1_555 1_555 1_555 yes Cl(2) O(7) O(8a) O(8b) 5.1(3) 1_555 1_555 1_555 1_555 yes Cl(2) O(8b) O(8a) O(7) -4.1(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) S(2) C(22a) 76.7(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) S(2) C(22b) 94.4(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) N(1b) -125.0(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) C(2a) -3.8(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1a) C(6a) 177(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) N(1a) 48.9(7) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) C(22b) -80(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) N(1b) C(26b) 96(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(11) -88.8(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(14) 153.8(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(10) C(15) 30.7(10) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(11) C(10) 98.8(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(11) C(12) -143.6(5) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(11) C(16) -23.7(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(12) C(11) 47.6(7) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(12) C(13) 166.3(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(12) C(17) -73.4(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(13) C(12) -42(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(13) C(14) 74(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(13) C(18) -162.8(7) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(14) C(10) -37.7(7) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(14) C(13) -157.5(4) 1_555 1_555 1_555 1_555 yes S(1) Rh(1) C(14) C(19) 82.7(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) S(2) C(22a) -92.3(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) S(2) C(22b) -72.7(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) N(21b) -47.3(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) C(22a) 81(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21a) C(26a) -93(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) N(21a) 126.6(9) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) C(2b) 1(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) C(6b) -178(2) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) N(21b) C(26a) 154(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(30) C(31) 100.0(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(30) C(34) -140.9(7) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(30) C(35) -16(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(31) C(30) -86.5(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(31) C(32) 157.8(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(31) C(36) 34(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(32) C(31) -33(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(32) C(33) -151.8(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(32) C(37) 86(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(33) C(32) 86(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(33) C(34) -30(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(33) C(38) -154(1) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(34) C(30) 49.8(8) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(34) C(33) 168.4(6) 1_555 1_555 1_555 1_555 yes S(1) Rh(2) C(34) C(39) -73(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(1a) N(1b) 83(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(1a) C(6a) -176(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(3) C(2b) -56(2) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(3) C(4a) 179(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) N(3) C(4b) -128(2) 1_555 1_555 1_555 1_555 yes S(1) C(2a) C(2b) N(3) 143(1) 1_555 1_555 1_555 1_555 yes S(1) C(2a) C(2b) N(21b) -94(3) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(3) C(2a) 41(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(3) C(4a) 138(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(3) C(4b) 178(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(21b) N(21a) -74(2) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(21b) C(6b) 178(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) N(21b) C(26a) -144(1) 1_555 1_555 1_555 1_555 yes S(1) C(2b) C(2a) N(1a) 106(3) 1_555 1_555 1_555 1_555 yes S(1) C(2b) C(2a) N(3) -143(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) S(1) C(2a) -93.2(6) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) S(1) C(2b) -72.2(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) N(1b) -42.3(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) C(2a) 78.9(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1a) C(6a) -99(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) N(1a) 131.6(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) C(22b) 2(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) N(1b) C(26b) 179(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(10) C(11) -179.3(4) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(10) C(14) 63.3(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(10) C(15) -59.8(10) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(11) C(10) 1.6(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(11) C(12) 119.3(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(11) C(16) -120.9(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(12) C(11) -139.9(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(12) C(13) -21.2(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(12) C(17) 99.2(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(13) C(12) 168.2(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(13) C(14) -75.4(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(13) C(18) 47.6(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(14) C(10) -127.0(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(14) C(13) 113.2(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(1) C(14) C(19) -6.6(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) S(1) C(2a) 76.2(6) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) S(1) C(2b) 95.6(6) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) N(21b) -131.2(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) C(22a) -2.6(9) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21a) C(26a) -177(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) N(21a) 43.5(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) C(2b) -81(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) C(6b) 98(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) N(21b) C(26a) 71(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(31) -170.9(5) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(34) -51.8(8) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(30) C(35) 72(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(31) C(30) 25(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(31) C(32) -90(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(31) C(36) 145(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(32) C(31) 153.5(6) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(32) C(33) 34(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(32) C(37) -87(1) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(33) C(32) -156.6(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(33) C(34) 85.8(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(33) C(38) -37(2) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(34) C(30) 139.6(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(34) C(33) -101.7(7) 1_555 1_555 1_555 1_555 yes S(2) Rh(2) C(34) C(39) 16(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(21a) N(21b) 83(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(21a) C(26a) 179(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(23) C(22b) -56(2) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(23) C(24a) -172(1) 1_555 1_555 1_555 1_555 yes S(2) C(22a) N(23) C(24b) -126(2) 1_555 1_555 1_555 1_555 yes S(2) C(22a) C(22b) N(1b) -110(4) 1_555 1_555 1_555 1_555 yes S(2) C(22a) C(22b) N(23) 143(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(1b) N(1a) -71(2) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(1b) C(26b) 178(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(23) C(22a) 46(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(23) C(24a) 147(1) 1_555 1_555 1_555 1_555 yes S(2) C(22b) N(23) C(24b) 176(2) 1_555 1_555 1_555 1_555 yes S(2) C(22b) C(22a) N(21a) 96(3) 1_555 1_555 1_555 1_555 yes S(2) C(22b) C(22a) N(23) -143(1) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(7) O(8a) -111(1) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(8a) O(7) 104(1) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(8a) O(8b) -70(1) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(8b) O(8a) 123.0(9) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(7) O(8a) 105(1) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(8a) O(7) -108(1) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(8a) O(8b) 76(1) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(8b) O(8a) -116.7(9) 1_555 1_555 1_555 1_555 yes O(7) Cl(2) O(8a) O(8b) -175.1(3) 1_555 1_555 1_555 1_555 yes O(7) Cl(2) O(8b) O(8a) 5.5(3) 1_555 1_555 1_555 1_555 yes O(7) O(8a) Cl(2) O(8b) 175.1(3) 1_555 1_555 1_555 1_555 yes O(8a) O(7) Cl(2) O(8b) -5.1(3) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(1) C(2a) 3.2(7) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(1) C(2b) 24.2(8) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(2) C(22a) 10.6(7) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) S(2) C(22b) 28.2(8) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) N(1b) C(22b) -129(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) N(1b) C(26b) 47(2) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) C(11) -22.7(10) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) C(14) -140.1(8) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(10) C(15) 96(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) C(10) 167.0(6) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) C(12) -75.3(7) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(11) C(16) 44(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) C(11) 112.8(6) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) C(13) -128.4(6) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(12) C(17) -8.1(9) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) C(12) 62.4(7) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) C(14) 178.8(6) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(13) C(18) -58.1(10) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) C(10) 117(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) C(13) -2(1) 1_555 1_555 1_555 1_555 yes N(1a) Rh(1) C(14) C(19) -122(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(10) -129(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(11) -57(1) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(12) -81.3(8) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(13) -121.8(7) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) Rh(1) C(14) -151.0(7) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(22b) N(23) 113(2) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(22b) C(22a) 27(6) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) C(6a) 7(2) 1_555 1_555 1_555 1_555 yes N(1a) N(1b) C(26b) C(25b) -129(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) S(1) C(2b) -139(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) N(3) C(2b) 136(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) N(3) C(4a) 13(2) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) N(3) C(4b) 64(3) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) C(2b) N(3) -110(3) 1_555 1_555 1_555 1_555 yes N(1a) C(2a) C(2b) N(21b) 11(6) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(5a) C(4a) -4(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) N(1b) -7(2) 1_555 1_555 1_555 1_555 yes N(1a) C(6a) C(26b) C(25b) 130(2) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(1) C(2a) -29.8(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(1) C(2b) -8.8(8) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(2) C(22a) -19.3(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) S(2) C(22b) -1.7(9) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) N(1a) C(2a) 121(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) N(1a) C(6a) -57(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) C(11) 90(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) C(14) -27(2) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(10) C(15) -150(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) C(10) -156.6(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) C(12) -38.9(9) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(11) C(16) 80(1) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) C(11) 154.2(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) C(13) -87.1(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(12) C(17) 33.3(10) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) C(12) 102.4(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) C(14) -141.1(6) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(13) C(18) -18.1(10) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) C(10) 171.2(7) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) C(13) 51.4(8) 1_555 1_555 1_555 1_555 yes N(1b) Rh(1) C(14) C(19) -68(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(10) 158.4(8) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(11) 143.5(7) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(12) 106.9(8) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(13) 72.2(8) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) Rh(1) C(14) 74(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(2a) N(3) -106(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(2a) C(2b) -13(4) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) C(5a) 126(1) 1_555 1_555 1_555 1_555 yes N(1b) N(1a) C(6a) C(26b) 6(1) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) S(2) C(22a) 142(3) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) N(23) C(22a) -138(3) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) N(23) C(24a) -37(3) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) N(23) C(24b) -8(2) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) C(22a) N(21a) -14(7) 1_555 1_555 1_555 1_555 yes N(1b) C(22b) C(22a) N(23) 105(4) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(6a) C(5a) -124(2) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(25b) C(24a) 6(3) 1_555 1_555 1_555 1_555 yes N(1b) C(26b) C(25b) C(24b) -5(5) 1_555 1_555 1_555 1_555 yes N(3) C(2a) S(1) C(2b) 52(1) 1_555 1_555 1_555 1_555 yes N(3) C(2a) N(1a) C(6a) -5(2) 1_555 1_555 1_555 1_555 yes N(3) C(2a) C(2b) N(21b) 121(4) 1_555 1_555 1_555 1_555 yes N(3) C(2b) S(1) C(2a) -41(1) 1_555 1_555 1_555 1_555 yes N(3) C(2b) N(21b) N(21a) 107(2) 1_555 1_555 1_555 1_555 yes N(3) C(2b) N(21b) C(6b) 0(3) 1_555 1_555 1_555 1_555 yes N(3) C(2b) N(21b) C(26a) 36(3) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(4b) C(5b) -108(5) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(4b) C(7a) 136(1) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(4b) C(7b) 137(2) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(5a) C(6a) 10(2) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7a) C(4b) -55(2) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7a) C(7b) 125(4) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7b) C(4b) -75(3) 1_555 1_555 1_555 1_555 yes N(3) C(4a) C(7b) C(7a) -74(5) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(4a) C(5a) 118(4) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(4a) C(7a) -136(1) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(4a) C(7b) -137(2) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(5b) C(6b) 2(3) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7a) C(4a) 47(2) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7a) C(7b) 48(6) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7b) C(4a) 40(2) 1_555 1_555 1_555 1_555 yes N(3) C(4b) C(7b) C(7a) -138(5) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(1) C(2a) 10.6(7) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(1) C(2b) 30.1(7) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(2) C(22a) 2.1(7) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) S(2) C(22b) 21.7(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) N(21b) C(2b) -125(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) N(21b) C(6b) 55(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) N(21b) C(26a) 27(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) C(31) -30(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) C(34) 88(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(30) C(35) -146(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) C(30) 171.0(7) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) C(32) 55(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(31) C(36) -68(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) C(31) -139.4(8) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) C(33) 101.8(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(32) C(37) -20(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) C(32) -88.1(9) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) C(34) 154.3(7) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(33) C(38) 30(2) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) C(30) -158.2(8) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) C(33) -39(1) 1_555 1_555 1_555 1_555 yes N(21a) Rh(2) C(34) C(39) 78(1) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(30) -159.4(8) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(31) -136.5(8) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(32) -96.1(9) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(33) -67(1) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) Rh(2) C(34) -95(1) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(2b) C(2a) 5(5) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) C(5b) -125(2) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(6b) C(26a) 1(2) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(26a) C(6b) -178(2) 1_555 1_555 1_555 1_555 yes N(21a) N(21b) C(26a) C(25a) -84(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) S(2) C(22b) -137(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) N(23) C(22b) 139(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) N(23) C(24a) 22(2) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) N(23) C(24b) 68(3) 1_555 1_555 1_555 1_555 yes N(21a) C(22a) C(22b) N(23) -119(3) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) N(21b) C(2b) 107(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) N(21b) C(6b) 178(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) N(21b) -1(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(6b) C(5b) 127(2) 1_555 1_555 1_555 1_555 yes N(21a) C(26a) C(25a) C(24a) -5(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(1) C(2a) -20.2(8) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(1) C(2b) -0.7(8) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(2) C(22a) -26.6(7) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) S(2) C(22b) -7.0(9) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) N(21a) C(22a) 128(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) N(21a) C(26a) -46(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) C(31) 37.7(10) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) C(34) 156.7(9) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(30) C(35) -78(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) C(30) -154.5(7) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) C(32) 89.8(9) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(31) C(36) -33(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) C(31) -99.0(8) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) C(33) 142.2(9) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(32) C(37) 20(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) C(32) -50(1) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) C(34) -167.9(7) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(33) C(38) 68(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) C(30) -81(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) C(33) 37(2) 1_555 1_555 1_555 1_555 yes N(21b) Rh(2) C(34) C(39) 155(1) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(30) 83(2) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(31) 59(1) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(32) 92.1(10) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(33) 131.0(9) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) Rh(2) C(34) 155.3(9) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(22a) N(23) -107(2) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(22a) C(22b) -2(4) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) C(6b) 1(2) 1_555 1_555 1_555 1_555 yes N(21b) N(21a) C(26a) C(25a) 133(1) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) S(1) C(2a) 139(2) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) N(3) C(2a) -140(3) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) N(3) C(4a) -43(3) 1_555 1_555 1_555 1_555 yes N(21b) C(2b) N(3) C(4b) -2(2) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(5b) C(4b) -5(3) 1_555 1_555 1_555 1_555 yes N(21b) C(6b) C(26a) C(25a) -128(2) 1_555 1_555 1_555 1_555 yes N(21b) C(26a) N(21a) C(22a) -128(1) 1_555 1_555 1_555 1_555 yes N(21b) C(26a) C(6b) C(5b) 129(3) 1_555 1_555 1_555 1_555 yes N(21b) C(26a) C(25a) C(24a) 55(3) 1_555 1_555 1_555 1_555 yes N(23) C(22a) S(2) C(22b) 56(2) 1_555 1_555 1_555 1_555 yes N(23) C(22a) N(21a) C(26a) -11(2) 1_555 1_555 1_555 1_555 yes N(23) C(22b) S(2) C(22a) -42(1) 1_555 1_555 1_555 1_555 yes N(23) C(22b) N(1b) C(26b) 3(3) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(24b) C(25b) -118(13) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(24b) C(27a) 137(1) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(24b) C(27b) 134(2) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(25a) C(26a) 12(2) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(25b) C(24b) 61(14) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(25b) C(26b) -23(2) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27a) C(24b) -66(3) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27a) C(27b) 106(4) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27b) C(24b) -98(4) 1_555 1_555 1_555 1_555 yes N(23) C(24a) C(27b) C(27a) -105(3) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(24a) C(25a) 114(3) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(24a) C(25b) 118(13) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(24a) C(27a) -137(1) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(24a) C(27b) -134(2) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(25b) C(24a) -101(15) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(25b) C(26b) 0(6) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27a) C(24a) 41(2) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27a) C(27b) 35(5) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27b) C(24a) 37(2) 1_555 1_555 1_555 1_555 yes N(23) C(24b) C(27b) C(27a) -149(4) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(10) 149.9(7) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(11) 109.9(6) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(12) 82.8(7) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(13) 115(1) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(1) C(14) 172.6(7) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(30) -158.7(7) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(31) -120.2(7) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(32) -99.4(8) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(33) -164(1) 1_555 1_555 1_555 1_555 yes C(2a) S(1) Rh(2) C(34) 172.8(7) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(10) -80(1) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(11) -95.3(10) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(12) -131.9(10) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(13) -166.6(9) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) Rh(1) C(14) -164.8(10) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) N(1b) C(22b) -9(2) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) N(1b) C(26b) 114(1) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) C(5a) 2(2) 1_555 1_555 1_555 1_555 yes C(2a) N(1a) C(6a) C(26b) -116(2) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(4b) 125(2) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(5a) -15(2) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(7a) 176(1) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4a) C(7b) -152(3) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(4a) -91(3) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(5b) 46(3) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(7a) -144(2) 1_555 1_555 1_555 1_555 yes C(2a) N(3) C(4b) C(7b) -128(2) 1_555 1_555 1_555 1_555 yes C(2a) C(2b) N(3) C(4a) 96(2) 1_555 1_555 1_555 1_555 yes C(2a) C(2b) N(3) C(4b) 137(2) 1_555 1_555 1_555 1_555 yes C(2a) C(2b) N(21b) C(6b) -102(4) 1_555 1_555 1_555 1_555 yes C(2a) C(2b) N(21b) C(26a) -64(5) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(10) 170.9(7) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(11) 130.9(7) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(12) 103.8(7) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(13) 136(1) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(1) C(14) -166.4(7) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(30) -139.3(7) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(31) -100.7(7) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(32) -79.9(8) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(33) -144(1) 1_555 1_555 1_555 1_555 yes C(2b) S(1) Rh(2) C(34) -167.8(7) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(4b) 69(3) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(5a) -71(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(7a) 120(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4a) C(7b) 151(3) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(4a) -135(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(5b) 2(3) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(7a) 171(2) 1_555 1_555 1_555 1_555 yes C(2b) N(3) C(4b) C(7b) -172(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(30) 75(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(31) 97(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(32) 138(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(33) 167(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) Rh(2) C(34) 138(1) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) N(21a) C(22a) -4(3) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) N(21a) C(26a) -122(2) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) C(5b) 5(3) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(6b) C(26a) 132(2) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(26a) C(6b) -70(3) 1_555 1_555 1_555 1_555 yes C(2b) N(21b) C(26a) C(25a) 23(4) 1_555 1_555 1_555 1_555 yes C(2b) C(2a) N(1a) C(6a) 86(3) 1_555 1_555 1_555 1_555 yes C(2b) C(2a) N(3) C(4a) -123(2) 1_555 1_555 1_555 1_555 yes C(2b) C(2a) N(3) C(4b) -72(2) 1_555 1_555 1_555 1_555 yes C(4a) N(3) C(4b) C(5b) 138(3) 1_555 1_555 1_555 1_555 yes C(4a) N(3) C(4b) C(7a) -52(2) 1_555 1_555 1_555 1_555 yes C(4a) N(3) C(4b) C(7b) -36(2) 1_555 1_555 1_555 1_555 yes C(4a) C(4b) C(5b) C(6b) 89(6) 1_555 1_555 1_555 1_555 yes C(4a) C(4b) C(7a) C(7b) 0(6) 1_555 1_555 1_555 1_555 yes C(4a) C(4b) C(7b) C(7a) -178(7) 1_555 1_555 1_555 1_555 yes C(4a) C(5a) C(6a) C(26b) 100(2) 1_555 1_555 1_555 1_555 yes C(4a) C(7a) C(4b) C(5b) -142(3) 1_555 1_555 1_555 1_555 yes C(4a) C(7a) C(4b) C(7b) 0(6) 1_555 1_555 1_555 1_555 yes C(4a) C(7a) C(7b) C(4b) 0(3) 1_555 1_555 1_555 1_555 yes C(4a) C(7b) C(4b) C(5b) -133(4) 1_555 1_555 1_555 1_555 yes C(4a) C(7b) C(4b) C(7a) 178(7) 1_555 1_555 1_555 1_555 yes C(4a) C(7b) C(7a) C(4b) 0(3) 1_555 1_555 1_555 1_555 yes C(4b) N(3) C(4a) C(5a) -141(3) 1_555 1_555 1_555 1_555 yes C(4b) N(3) C(4a) C(7a) 50(2) 1_555 1_555 1_555 1_555 yes C(4b) N(3) C(4a) C(7b) 81(3) 1_555 1_555 1_555 1_555 yes C(4b) C(4a) C(5a) C(6a) -93(5) 1_555 1_555 1_555 1_555 yes C(4b) C(4a) C(7a) C(7b) -179(5) 1_555 1_555 1_555 1_555 yes C(4b) C(4a) C(7b) C(7a) 0(5) 1_555 1_555 1_555 1_555 yes C(4b) C(5b) C(6b) C(26a) -121(3) 1_555 1_555 1_555 1_555 yes C(4b) C(7a) C(4a) C(5a) 137(3) 1_555 1_555 1_555 1_555 yes C(4b) C(7a) C(4a) C(7b) 179(5) 1_555 1_555 1_555 1_555 yes C(4b) C(7b) C(4a) C(5a) 142(3) 1_555 1_555 1_555 1_555 yes C(4b) C(7b) C(4a) C(7a) 0(5) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(4b) C(5b) 10(9) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(4b) C(7a) -105(4) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(4b) C(7b) -104(4) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(7a) C(7b) -42(5) 1_555 1_555 1_555 1_555 yes C(5a) C(4a) C(7b) C(7a) 142(4) 1_555 1_555 1_555 1_555 yes C(5a) C(6a) C(26b) C(25b) 13(3) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(4a) C(7a) 115(5) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(4a) C(7b) 114(5) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(7a) C(7b) -141(5) 1_555 1_555 1_555 1_555 yes C(5b) C(4b) C(7b) C(7a) 47(6) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) N(21b) C(26a) -127(3) 1_555 1_555 1_555 1_555 yes C(5b) C(6b) C(26a) C(25a) 0(4) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(10) 101(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(11) 86(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(12) 49(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(13) 15(1) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) Rh(1) C(14) 16(2) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) N(1b) C(22b) -130(2) 1_555 1_555 1_555 1_555 yes C(6a) N(1a) N(1b) C(26b) -6(1) 1_555 1_555 1_555 1_555 yes C(6a) C(5a) C(4a) C(7a) 179(2) 1_555 1_555 1_555 1_555 yes C(6a) C(5a) C(4a) C(7b) 162(2) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) N(1b) C(22b) 141(2) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) C(25b) C(24a) -123(2) 1_555 1_555 1_555 1_555 yes C(6a) C(26b) C(25b) C(24b) -135(4) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(30) -104(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(31) -81(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(32) -40(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(33) -12(2) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) Rh(2) C(34) -40(3) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) N(21a) C(22a) 117(1) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) N(21a) C(26a) -1(1) 1_555 1_555 1_555 1_555 yes C(6b) N(21b) C(26a) C(25a) 93(3) 1_555 1_555 1_555 1_555 yes C(6b) C(5b) C(4b) C(7a) -167(2) 1_555 1_555 1_555 1_555 yes C(6b) C(5b) C(4b) C(7b) 175(2) 1_555 1_555 1_555 1_555 yes C(6b) C(26a) N(21a) C(22a) -126(2) 1_555 1_555 1_555 1_555 yes C(6b) C(26a) C(25a) C(24a) 118(3) 1_555 1_555 1_555 1_555 yes C(7a) C(4a) C(4b) C(7b) 0(2) 1_555 1_555 1_555 1_555 yes C(7a) C(4b) C(4a) C(7b) 0(2) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) S(2) C(22a) 177.9(6) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) S(2) C(22b) -164.5(8) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) N(1b) C(22b) 100(2) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) N(1b) C(26b) -82(2) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(11) C(12) 117.7(8) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(11) C(16) -122(1) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(12) C(11) -38.5(6) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(12) C(13) 80.2(6) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(12) C(17) -159.4(10) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(13) C(12) -80.0(6) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(13) C(14) 36.5(5) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(13) C(18) 159.5(10) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(14) C(13) -119.8(8) 1_555 1_555 1_555 1_555 yes C(10) Rh(1) C(14) C(19) 120(1) 1_555 1_555 1_555 1_555 yes C(10) C(11) Rh(1) C(12) -117.7(8) 1_555 1_555 1_555 1_555 yes C(10) C(11) Rh(1) C(13) -79.5(6) 1_555 1_555 1_555 1_555 yes C(10) C(11) Rh(1) C(14) -37.4(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(13) 1(1) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(17) -176.3(9) 1_555 1_555 1_555 1_555 yes C(10) C(14) Rh(1) C(11) 38.5(5) 1_555 1_555 1_555 1_555 yes C(10) C(14) Rh(1) C(12) 80.5(6) 1_555 1_555 1_555 1_555 yes C(10) C(14) Rh(1) C(13) 119.8(8) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(13) C(12) 3(1) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(13) C(18) 177.1(9) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) S(2) C(22a) 176.7(8) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) S(2) C(22b) -165.7(10) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) N(1b) C(22b) 172(1) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) N(1b) C(26b) -9(2) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(10) C(14) -117.4(7) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(10) C(15) 119(1) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(12) C(13) 118.7(8) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(12) C(17) -120(1) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(13) C(12) -36.3(5) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(13) C(14) 80.2(6) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(13) C(18) -156.8(10) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(14) C(13) -81.3(6) 1_555 1_555 1_555 1_555 yes C(11) Rh(1) C(14) C(19) 158.9(10) 1_555 1_555 1_555 1_555 yes C(11) C(10) Rh(1) C(12) 36.9(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) Rh(1) C(13) 81.1(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) Rh(1) C(14) 117.4(7) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(13) -2(1) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(19) 177.0(9) 1_555 1_555 1_555 1_555 yes C(11) C(12) Rh(1) C(13) -118.7(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) Rh(1) C(14) -81.0(6) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(14) -3(1) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(18) -177.1(9) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) S(2) C(22a) -97.3(8) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) S(2) C(22b) -79.7(9) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) N(1b) C(22b) 149(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) N(1b) C(26b) -33(2) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(10) C(14) -80.5(6) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(10) C(15) 156(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(11) C(16) 119(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(13) C(14) 116.4(8) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(13) C(18) -120(1) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(14) C(13) -39.3(5) 1_555 1_555 1_555 1_555 yes C(12) Rh(1) C(14) C(19) -159.2(10) 1_555 1_555 1_555 1_555 yes C(12) C(11) Rh(1) C(13) 38.1(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) Rh(1) C(14) 80.3(6) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(10) C(14) 0(1) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(10) C(15) 175.3(9) 1_555 1_555 1_555 1_555 yes C(12) C(13) Rh(1) C(14) -116.4(8) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(14) C(19) -176.0(9) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) S(2) C(22a) -111.5(6) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) S(2) C(22b) -93.9(8) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) N(1b) C(22b) 108(1) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) N(1b) C(26b) -73(2) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(10) C(14) -36.3(5) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(10) C(15) -159(1) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(11) C(16) 157(1) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(12) C(17) 120(1) 1_555 1_555 1_555 1_555 yes C(13) Rh(1) C(14) C(19) -119(1) 1_555 1_555 1_555 1_555 yes C(13) C(12) Rh(1) C(14) 37.7(5) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(11) C(16) 178.1(9) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(10) C(15) -177.1(9) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) S(2) C(22a) -148.3(6) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) S(2) C(22b) -130.7(8) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) N(1b) C(22b) 79(1) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) N(1b) C(26b) -103(2) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(10) C(15) -123(1) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(11) C(16) -159(1) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(12) C(17) 158.0(10) 1_555 1_555 1_555 1_555 yes C(14) Rh(1) C(13) C(18) 123(1) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(11) C(16) -176.0(10) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(12) C(17) 175.0(9) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(11) C(16) 0(1) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(14) C(19) 2(1) 1_555 1_555 1_555 1_555 yes C(16) C(11) C(12) C(17) 0(1) 1_555 1_555 1_555 1_555 yes C(17) C(12) C(13) C(18) 1(1) 1_555 1_555 1_555 1_555 yes C(18) C(13) C(14) C(19) -2(1) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(30) 172.5(6) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(31) 153(1) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(32) 83.3(8) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(33) 104.4(8) 1_555 1_555 1_555 1_555 yes C(22a) S(2) Rh(2) C(34) 143.0(7) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(30) -148(1) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(31) -171.9(9) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(32) -139(1) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(33) -100(1) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) Rh(2) C(34) -76(1) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) N(21b) C(26a) 118(2) 1_555 1_555 1_555 1_555 yes C(22a) N(21a) C(26a) C(25a) 5(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(24b) 105(3) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(25a) -21(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(25b) 93(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(27a) 165(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24a) C(27b) -149(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(24a) -105(3) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(25b) 44(6) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(27a) -155(2) 1_555 1_555 1_555 1_555 yes C(22a) N(23) C(24b) C(27b) -140(2) 1_555 1_555 1_555 1_555 yes C(22a) C(22b) N(1b) C(26b) -82(5) 1_555 1_555 1_555 1_555 yes C(22a) C(22b) N(23) C(24a) 100(2) 1_555 1_555 1_555 1_555 yes C(22a) C(22b) N(23) C(24b) 130(2) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(30) -167.9(9) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(31) 173(1) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(32) 102.8(10) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(33) 124.0(10) 1_555 1_555 1_555 1_555 yes C(22b) S(2) Rh(2) C(34) 162.5(9) 1_555 1_555 1_555 1_555 yes C(22b) N(1b) C(26b) C(25b) 4(3) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(24b) 54(4) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(25a) -73(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(25b) 42(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(27a) 114(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24a) C(27b) 159(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(24a) -143(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(25b) 7(5) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(27a) 166(2) 1_555 1_555 1_555 1_555 yes C(22b) N(23) C(24b) C(27b) -177(1) 1_555 1_555 1_555 1_555 yes C(22b) C(22a) N(21a) C(26a) 93(4) 1_555 1_555 1_555 1_555 yes C(22b) C(22a) N(23) C(24a) -116(2) 1_555 1_555 1_555 1_555 yes C(22b) C(22a) N(23) C(24b) -70(3) 1_555 1_555 1_555 1_555 yes C(24a) N(23) C(24b) C(25b) 150(7) 1_555 1_555 1_555 1_555 yes C(24a) N(23) C(24b) C(27a) -50(3) 1_555 1_555 1_555 1_555 yes C(24a) N(23) C(24b) C(27b) -34(2) 1_555 1_555 1_555 1_555 yes C(24a) C(24b) C(25b) C(26b) 100(14) 1_555 1_555 1_555 1_555 yes C(24a) C(24b) C(27a) C(27b) -6(4) 1_555 1_555 1_555 1_555 yes C(24a) C(24b) C(27b) C(27a) 172(6) 1_555 1_555 1_555 1_555 yes C(24a) C(25b) C(24b) C(27a) 97(14) 1_555 1_555 1_555 1_555 yes C(24a) C(25b) C(24b) C(27b) 85(14) 1_555 1_555 1_555 1_555 yes C(24a) C(27a) C(24b) C(25b) -154(6) 1_555 1_555 1_555 1_555 yes C(24a) C(27a) C(24b) C(27b) 6(4) 1_555 1_555 1_555 1_555 yes C(24a) C(27a) C(27b) C(24b) -3(2) 1_555 1_555 1_555 1_555 yes C(24a) C(27b) C(24b) C(25b) -147(7) 1_555 1_555 1_555 1_555 yes C(24a) C(27b) C(24b) C(27a) -172(6) 1_555 1_555 1_555 1_555 yes C(24a) C(27b) C(27a) C(24b) 3(2) 1_555 1_555 1_555 1_555 yes C(24b) N(23) C(24a) C(25a) -127(3) 1_555 1_555 1_555 1_555 yes C(24b) N(23) C(24a) C(25b) -12(3) 1_555 1_555 1_555 1_555 yes C(24b) N(23) C(24a) C(27a) 59(3) 1_555 1_555 1_555 1_555 yes C(24b) N(23) C(24a) C(27b) 104(4) 1_555 1_555 1_555 1_555 yes C(24b) C(24a) C(25a) C(26a) -91(5) 1_555 1_555 1_555 1_555 yes C(24b) C(24a) C(25b) C(26b) -84(14) 1_555 1_555 1_555 1_555 yes C(24b) C(24a) C(27a) C(27b) 173(5) 1_555 1_555 1_555 1_555 yes C(24b) C(24a) C(27b) C(27a) -6(5) 1_555 1_555 1_555 1_555 yes C(24b) C(25b) C(24a) C(25a) 176(14) 1_555 1_555 1_555 1_555 yes C(24b) C(25b) C(24a) C(27a) -72(14) 1_555 1_555 1_555 1_555 yes C(24b) C(25b) C(24a) C(27b) -76(14) 1_555 1_555 1_555 1_555 yes C(24b) C(27a) C(24a) C(25a) 120(3) 1_555 1_555 1_555 1_555 yes C(24b) C(27a) C(24a) C(25b) 13(3) 1_555 1_555 1_555 1_555 yes C(24b) C(27a) C(24a) C(27b) -173(5) 1_555 1_555 1_555 1_555 yes C(24b) C(27b) C(24a) C(25a) 129(4) 1_555 1_555 1_555 1_555 yes C(24b) C(27b) C(24a) C(25b) 13(3) 1_555 1_555 1_555 1_555 yes C(24b) C(27b) C(24a) C(27a) 6(5) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(24b) C(25b) -4(16) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(24b) C(27a) -107(3) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(24b) C(27b) -111(4) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(25b) C(26b) 91(2) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(27a) C(27b) -66(3) 1_555 1_555 1_555 1_555 yes C(25a) C(24a) C(27b) C(27a) 123(3) 1_555 1_555 1_555 1_555 yes C(25b) C(24a) C(24b) C(27a) -103(14) 1_555 1_555 1_555 1_555 yes C(25b) C(24a) C(24b) C(27b) -107(13) 1_555 1_555 1_555 1_555 yes C(25b) C(24a) C(25a) C(26a) -92(2) 1_555 1_555 1_555 1_555 yes C(25b) C(24a) C(27a) C(27b) -172(3) 1_555 1_555 1_555 1_555 yes C(25b) C(24a) C(27b) C(27a) 7(3) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(24a) C(27a) 103(14) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(24a) C(27b) 107(13) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(27a) C(27b) -160(4) 1_555 1_555 1_555 1_555 yes C(25b) C(24b) C(27b) C(27a) 24(6) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(30) 36(3) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(31) 13(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(32) 45(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(33) 84(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21a) Rh(2) C(34) 108(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21b) Rh(2) C(30) -131.8(10) 1_555 1_555 1_555 1_555 yes C(26a) N(21b) Rh(2) C(31) -108(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21b) Rh(2) C(32) -68(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21b) Rh(2) C(33) -39(1) 1_555 1_555 1_555 1_555 yes C(26a) N(21b) Rh(2) C(34) -67(2) 1_555 1_555 1_555 1_555 yes C(26a) C(25a) C(24a) C(27a) -173(2) 1_555 1_555 1_555 1_555 yes C(26a) C(25a) C(24a) C(27b) 156(2) 1_555 1_555 1_555 1_555 yes C(26b) C(25b) C(24a) C(27a) -156(2) 1_555 1_555 1_555 1_555 yes C(26b) C(25b) C(24a) C(27b) -160(2) 1_555 1_555 1_555 1_555 yes C(26b) C(25b) C(24b) C(27a) -161(2) 1_555 1_555 1_555 1_555 yes C(26b) C(25b) C(24b) C(27b) -173(3) 1_555 1_555 1_555 1_555 yes C(27a) C(24a) C(24b) C(27b) -3(2) 1_555 1_555 1_555 1_555 yes C(27a) C(24b) C(24a) C(27b) 3(2) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(31) C(32) -115(1) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(31) C(36) 120(1) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(32) C(31) 38.3(7) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(32) C(33) -80.5(9) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(32) C(37) 157(1) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(33) C(32) 80.5(8) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(33) C(34) -37.1(7) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(33) C(38) -160(2) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(34) C(33) 118(1) 1_555 1_555 1_555 1_555 yes C(30) Rh(2) C(34) C(39) -123(1) 1_555 1_555 1_555 1_555 yes C(30) C(31) Rh(2) C(32) 115(1) 1_555 1_555 1_555 1_555 yes C(30) C(31) Rh(2) C(33) 79.3(8) 1_555 1_555 1_555 1_555 yes C(30) C(31) Rh(2) C(34) 36.9(7) 1_555 1_555 1_555 1_555 yes C(30) C(31) C(32) C(33) -2(1) 1_555 1_555 1_555 1_555 yes C(30) C(31) C(32) C(37) 178(1) 1_555 1_555 1_555 1_555 yes C(30) C(34) Rh(2) C(31) -36.9(7) 1_555 1_555 1_555 1_555 yes C(30) C(34) Rh(2) C(32) -81.1(8) 1_555 1_555 1_555 1_555 yes C(30) C(34) Rh(2) C(33) -118(1) 1_555 1_555 1_555 1_555 yes C(30) C(34) C(33) C(32) 0(1) 1_555 1_555 1_555 1_555 yes C(30) C(34) C(33) C(38) -177(1) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(30) C(34) 119.0(10) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(30) C(35) -116(1) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(32) C(33) -118(1) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(32) C(37) 119(2) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(33) C(32) 38.0(7) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(33) C(34) -79.6(7) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(33) C(38) 156(2) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(34) C(33) 81.8(8) 1_555 1_555 1_555 1_555 yes C(31) Rh(2) C(34) C(39) -160(1) 1_555 1_555 1_555 1_555 yes C(31) C(30) Rh(2) C(32) -39.7(7) 1_555 1_555 1_555 1_555 yes C(31) C(30) Rh(2) C(33) -82.0(8) 1_555 1_555 1_555 1_555 yes C(31) C(30) Rh(2) C(34) -119.0(10) 1_555 1_555 1_555 1_555 yes C(31) C(30) C(34) C(33) 0(1) 1_555 1_555 1_555 1_555 yes C(31) C(30) C(34) C(39) -178(1) 1_555 1_555 1_555 1_555 yes C(31) C(32) Rh(2) C(33) 118(1) 1_555 1_555 1_555 1_555 yes C(31) C(32) Rh(2) C(34) 81.1(8) 1_555 1_555 1_555 1_555 yes C(31) C(32) C(33) C(34) 1(1) 1_555 1_555 1_555 1_555 yes C(31) C(32) C(33) C(38) 178(1) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(30) C(34) 79.4(8) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(30) C(35) -155(1) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(31) C(36) -123(1) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(33) C(34) -117(1) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(33) C(38) 118(2) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(34) C(33) 37.5(7) 1_555 1_555 1_555 1_555 yes C(32) Rh(2) C(34) C(39) 155(1) 1_555 1_555 1_555 1_555 yes C(32) C(31) Rh(2) C(33) -36.4(8) 1_555 1_555 1_555 1_555 yes C(32) C(31) Rh(2) C(34) -78.8(9) 1_555 1_555 1_555 1_555 yes C(32) C(31) C(30) C(34) 1(1) 1_555 1_555 1_555 1_555 yes C(32) C(31) C(30) C(35) -175.9(9) 1_555 1_555 1_555 1_555 yes C(32) C(33) Rh(2) C(34) 117(1) 1_555 1_555 1_555 1_555 yes C(32) C(33) C(34) C(39) 177(1) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(30) C(34) 37.0(8) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(30) C(35) 161(1) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(31) C(36) -160(1) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(32) C(37) -121(2) 1_555 1_555 1_555 1_555 yes C(33) Rh(2) C(34) C(39) 118(1) 1_555 1_555 1_555 1_555 yes C(33) C(32) Rh(2) C(34) -37.7(8) 1_555 1_555 1_555 1_555 yes C(33) C(32) C(31) C(36) -176(1) 1_555 1_555 1_555 1_555 yes C(33) C(34) C(30) C(35) 176(1) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(30) C(35) 124(1) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(31) C(36) 157(1) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(32) C(37) -159(1) 1_555 1_555 1_555 1_555 yes C(34) Rh(2) C(33) C(38) -123(2) 1_555 1_555 1_555 1_555 yes C(34) C(30) C(31) C(36) 176(1) 1_555 1_555 1_555 1_555 yes C(34) C(33) C(32) C(37) -179(1) 1_555 1_555 1_555 1_555 yes C(35) C(30) C(31) C(36) -1(1) 1_555 1_555 1_555 1_555 yes C(35) C(30) C(34) C(39) -1(1) 1_555 1_555 1_555 1_555 yes C(36) C(31) C(32) C(37) 4(1) 1_555 1_555 1_555 1_555 yes C(37) C(32) C(33) C(38) -2(2) 1_555 1_555 1_555 1_555 yes C(38) C(33) C(34) C(39) 0(2) 1_555 1_555 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag O(1) C(5a) 3.22(2) 1_555 1_555 ? O(1) C(18) 3.33(1) 1_555 2_546 ? O(1) C(25b) 3.33(3) 1_555 1_555 ? O(1) C(7b) 3.42(4) 1_555 1_555 ? O(1) C(7a) 3.57(3) 1_555 1_555 ? O(2) C(11) 3.05(1) 1_555 1_545 ? O(2) C(12) 3.24(2) 1_555 1_545 ? O(2) C(10) 3.38(2) 1_555 1_545 ? O(2) C(16) 3.43(2) 1_555 1_545 ? O(3) C(26b) 3.16(3) 1_555 2_546 ? O(3) C(6a) 3.37(2) 1_555 2_546 ? O(3) C(13) 3.43(2) 1_555 1_545 ? O(3) C(25b) 3.43(3) 1_555 2_546 ? O(3) C(12) 3.50(2) 1_555 1_545 ? O(3) C(18) 3.58(2) 1_555 1_545 ? O(4) C(14) 3.08(1) 1_555 1_545 ? O(4) C(19) 3.37(2) 1_555 1_545 ? O(4) C(27a) 3.39(3) 1_555 1_555 ? O(4) C(13) 3.40(2) 1_555 1_545 ? O(4) C(10) 3.41(2) 1_555 1_545 ? O(4) C(27b) 3.48(4) 1_555 1_555 ? O(4) C(25a) 3.55(3) 1_555 1_555 ? O(5) C(26a) 3.15(3) 1_555 1_555 ? O(5) C(25a) 3.21(3) 1_555 1_555 ? O(5) C(6b) 3.48(3) 1_555 1_555 ? O(6) C(37) 3.29(3) 1_555 1_555 ? O(6) C(30) 3.37(2) 1_555 2_545 ? O(6) C(31) 3.42(2) 1_555 2_545 ? O(6) C(35) 3.47(2) 1_555 2_545 ? O(6) C(36) 3.58(2) 1_555 2_545 ? O(7) C(36) 3.43(1) 1_555 4_455 ? O(7) C(39) 3.55(2) 1_555 1_545 ? O(8a) C(39) 3.13(2) 1_555 1_545 ? O(8a) C(32) 3.41(1) 1_555 2_545 ? O(8a) C(31) 3.515(10) 1_555 2_545 ? O(8a) C(37) 3.59(2) 1_555 2_545 ? O(8b) C(32) 3.49(1) 1_555 2_545 ? O(8b) C(33) 3.51(1) 1_555 2_545 ? N(3) C(18) 3.48(1) 1_555 4_565 ? C(7a) C(27a) 3.46(4) 1_555 4_555 ? C(7a) C(27b) 3.52(4) 1_555 4_555 ? C(7b) C(17) 3.57(4) 1_555 3_666 ? Rh(1) Rh(2) 3.584(1) 1_555 1_555 ? Rh(2) Rh(1) 3.584(1) 1_555 1_555 ? S(1) S(2) 3.302(3) 1_555 1_555 ? S(2) S(1) 3.302(3) 1_555 1_555 ? #------------------------------------------------------------------------------ _publ_contact_author_name ' ENTER NAME' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_author_email ' ENTER EMAIL ADDRESS ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_author_name _publ_author_footnote _publ_author_address' FIRST AUTHORS NAME ' ; FIRST AUTHORS ADDRESS ; _publ_section_synopsis ; ENTER SYNOPSIS ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1998). teXsan. Single Crystal Structure Analysis Software. Version 1.9. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. North, A.C.T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ;