#Supplementary Material (ESI) for Chemical Communications #This Journal is (c) The Royal Society of Chemistry 2001 data_General _journal_coden_Cambridge 182 _publ_requested_journal 'Chemical Communications' _audit_creation_date 'Thu Jun 1 12:53:49 2000' _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 ' Dr Kazuaki Yamanari' _publ_contact_author_address ; Department of Chemistry, Graduate School of Science Osaka University Toyonaka 560-0043 JAPAN ; _publ_contact_author_email ' YAMANARI@CH.WANI.OSAKA-U.AC.JP' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? #------------------------------------------------------------------------------ # TITLE AND AUTHOR LIST _publ_section_title ; Diastereomeric separation of [{M(Cp*) (ado)}3]3+ (M=RhIII, IrIII; ado = adenosinato): crystal structure of an inclusion compound [{Rh(Cp*) (ado)}3] (CF3SO3)3.CH3OH ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_author_name 'Fuyuhiro, Akira' 'Ito, Rie' 'Yamamoto, Shiori' 'Yamanari, Kazuaki' _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. ; _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_[{Rh(Cp*)(adenosine)}3][CF3SO3]3$Ba(B.5H2O$Ba$(BH3OH _database_code_CSD 157281 #------------------------------------------------------------------------------ # CHEMICAL DATA _chemical_formula_sum 'C64 H90 F9 N15 O24.50 S3 Rh3 ' _chemical_formula_moiety 'C64 H90 F9 N15 O24.50 S3 Rh3 ' _chemical_formula_weight 2037.38 _chemical_melting_point ? #------------------------------------------------------------------------------ # CRYSTAL DATA _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21 ' _symmetry_Int_Tables_number 19 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,-y,1/2+z 1/2+x,1/2-y,-z -x,1/2+y,1/2-z _cell_length_a 21.0185(4) _cell_length_b 21.3660(4) _cell_length_c 19.4924(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 8753.7(3) _cell_formula_units_Z 4 _cell_measurement_reflns_used 137658 _cell_measurement_theta_min 1.4 _cell_measurement_theta_max 27.5 _cell_measurement_temperature 296.2 #------------------------------------------------------------------------------ _exptl_crystal_description 'column' _exptl_crystal_colour 'yellow' _exptl_crystal_size_max 0.350 _exptl_crystal_size_mid 0.150 _exptl_crystal_size_min 0.150 _exptl_crystal_size_rad ? _exptl_crystal_density_diffrn 1.546 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_absorpt_coefficient_mu 0.726 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(Higashi, 1995)' _exptl_absorpt_correction_T_min 0.669 _exptl_absorpt_correction_T_max 0.897 #------------------------------------------------------------------------------ # EXPERIMENTAL DATA _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID Imaging Plate' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 47691 _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max 27.48 _diffrn_reflns_limit_h_min -27 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 #------------------------------------------------------------------------------ # REFINEMENT DATA _refine_special_details ; Refinement using reflections with F^2^ > 0.0 sigma(F^2^). The weighted R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are based on F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt). ; _reflns_number_total 20037 _reflns_number_gt 13527 _reflns_threshold_expression >2.0sigma(I) _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_gt 0.0441 _refine_ls_wR_factor_ref 0.1373 _refine_ls_hydrogen_treatment noref _refine_ls_number_reflns 13527 _refine_ls_number_parameters 993 _refine_ls_goodness_of_fit_ref 0.652 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_shift/su_max -0.0500 _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0000 _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack 0.02(2) _refine_diff_density_max 0.93 _refine_diff_density_min -0.91 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.4) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'S' 'S' 0.125 0.123 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'F' 'F' 0.017 0.010 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'N' 'N' 0.006 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'Rh' 'Rh' -1.118 0.919 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; #------------------------------------------------------------------------------ # 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 0.08037(2) 0.30190(2) 0.13725(2) 0.03791(9) Uani 1.00 d . . . Rh(2) Rh 0.22987(2) 0.40601(2) 0.34614(2) 0.03493(9) Uani 1.00 d . . . Rh(3) Rh 0.26940(2) 0.15604(2) 0.26559(2) 0.03946(9) Uani 1.00 d . . . S(1) S 0.05713(8) 0.42829(8) -0.13923(9) 0.0608(4) Uani 1.00 d . . . S(2) S 0.6293(1) 0.44329(9) -0.0134(1) 0.0741(5) Uani 1.00 d . . . S(3) S 0.3732 0.3610 -0.3353 0.1129 Uiso 0.70 d P . . S(3B) S 0.3696 0.3914 -0.3023 0.0791 Uiso 0.30 d P . . F(1) F 0.0051(4) 0.5149(4) -0.0656(4) 0.153(3) Uani 1.00 d . . . F(2) F -0.0266(4) 0.5113(4) -0.1690(4) 0.164(3) Uani 1.00 d . . . F(3) F -0.0586(3) 0.4446(4) -0.0976(4) 0.140(2) Uani 1.00 d . . . F(4) F 0.5464(3) 0.4871(4) -0.0998(4) 0.136(2) Uani 1.00 d . . . F(5) F 0.6266(4) 0.5430(3) -0.0860(5) 0.159(3) Uani 1.00 d . . . F(6) F 0.5564(4) 0.5411(3) -0.0096(4) 0.147(3) Uani 1.00 d . . . F(7) F 0.4831 0.4138 -0.3071 0.2146 Uiso 1.00 d . . . F(8) F 0.4372 0.4480 -0.3980 0.2634 Uiso 1.00 d . . . F(9) F 0.4082 0.4634 -0.2864 0.2762 Uiso 1.00 d . . . O(51) O 0.1036(2) 0.4706(2) -0.1642(3) 0.075(1) Uani 1.00 d . . . O(52) O 0.0711(3) 0.3961(4) -0.0786(4) 0.126(3) Uani 1.00 d . . . O(53) O 0.0297(4) 0.3891(3) -0.1925(4) 0.116(2) Uani 1.00 d . . . O(54) O 0.6705(4) 0.4728(4) 0.0355(4) 0.135(3) Uani 1.00 d . . . O(55) O 0.5803(3) 0.4082(3) 0.0198(4) 0.106(2) Uani 1.00 d . . . O(56) O 0.6585(4) 0.4116(3) -0.0691(4) 0.114(2) Uani 1.00 d . . . O(57) O 0.3799 0.3337 -0.2659 0.1453 Uiso 1.00 d . . . O(58) O 0.3183 0.3827 -0.3641 0.1211 Uiso 1.00 d . . . O(59) O 0.4224 0.3350 -0.3985 0.2713 Uiso 1.00 d . . . O(101) O 0.2217(2) 0.1707(2) -0.1205(2) 0.056(1) Uani 1.00 d . . . O(102) O 0.3137(3) 0.3113(3) -0.1080(3) 0.081(2) Uani 1.00 d . . . O(103) O 0.2976(4) 0.2458(4) -0.2265(3) 0.114(2) Uani 1.00 d . . . O(105) O 0.3364(5) 0.1073(6) -0.0683(6) 0.182(4) Uani 1.00 d . . . O(201) O 0.3551(2) 0.5180(2) 0.0756(2) 0.0518(10) Uani 1.00 d . . . O(202) O 0.3520(3) 0.6555(2) 0.0932(2) 0.069(1) Uani 1.00 d . . . O(203) O 0.4646(2) 0.6191(3) 0.1578(3) 0.082(2) Uani 1.00 d . . . O(205) O 0.4561(3) 0.4308(2) 0.0571(3) 0.081(1) Uani 1.00 d . . . O(301) O 0.5521(2) 0.2559(2) 0.2645(3) 0.068(1) Uani 1.00 d . . . O(302) O 0.5708(2) 0.3041(2) 0.1085(2) 0.062(1) Uani 1.00 d . . . O(303) O 0.6185(2) 0.3963(2) 0.1926(3) 0.070(1) Uani 1.00 d . . . O(305) O 0.6483(6) 0.2780(4) 0.3750(5) 0.190(5) Uani 1.00 d . . . O(401) O 0.3604(3) 0.3505(3) 0.0185(3) 0.102(2) Uani 1.00 d . . . O(501) O 0.772(1) 0.3053(9) 0.354(1) 0.17136(9) Uiso 0.50 d P . . O(502) O -0.026(1) 0.311(1) 0.550(1) 0.2002(1) Uiso 0.50 d P . . O(503) O 0.686(1) 0.476(1) 0.479(1) 0.1820(1) Uiso 0.50 d P . . O(504) O 0.829(1) 0.307(1) 0.389(1) 0.2033(1) Uiso 0.50 d P . . O(505) O -0.041(2) 0.257(2) 0.552(2) 0.2747(2) Uiso 0.50 d P . . N(11) N 0.2430(2) 0.1823(2) 0.1629(2) 0.043(1) Uani 1.00 d . . . N(13) N 0.2760(2) 0.1764(2) 0.0441(2) 0.047(1) Uani 1.00 d . . . N(16) N 0.1475(2) 0.2407(2) 0.1888(2) 0.0412(9) Uani 1.00 d . . . N(17) N 0.1380(2) 0.2720(2) 0.0528(2) 0.0410(10) Uani 1.00 d . . . N(19) N 0.2040(2) 0.2398(2) -0.0296(2) 0.0437(10) Uani 1.00 d . . . N(21) N 0.1471(2) 0.3771(2) 0.1476(2) 0.0368(9) Uani 1.00 d . . . N(23) N 0.2053(2) 0.4576(2) 0.0844(2) 0.0400(9) Uani 1.00 d . . . N(26) N 0.1668(2) 0.3672(2) 0.2697(2) 0.0422(10) Uani 1.00 d . . . N(27) N 0.2519(2) 0.4650(2) 0.2592(2) 0.0359(9) Uani 1.00 d . . . N(29) N 0.2783(2) 0.5146(2) 0.1626(2) 0.0368(9) Uani 1.00 d . . . N(31) N 0.3074(2) 0.3496(2) 0.3062(2) 0.0360(9) Uani 1.00 d . . . N(33) N 0.4169(2) 0.3549(2) 0.2668(2) 0.0441(10) Uani 1.00 d . . . N(36) N 0.2523(2) 0.2501(2) 0.3008(2) 0.0390(9) Uani 1.00 d . . . N(37) N 0.3600(2) 0.1999(2) 0.2420(2) 0.0408(9) Uani 1.00 d . . . N(39) N 0.4508(2) 0.2508(2) 0.2207(3) 0.049(1) Uani 1.00 d . . . C(12) C 0.2803(3) 0.1641(3) 0.1089(3) 0.046(1) Uani 1.00 d . . . C(14) C 0.2264(3) 0.2140(2) 0.0303(2) 0.041(1) Uani 1.00 d . . . C(15) C 0.1849(2) 0.2355(3) 0.0787(3) 0.041(1) Uani 1.00 d . . . C(16) C 0.1915(2) 0.2192(2) 0.1494(3) 0.038(1) Uani 1.00 d . . . C(18) C 0.1499(3) 0.2740(2) -0.0144(3) 0.040(1) Uani 1.00 d . . . C(22) C 0.1637(3) 0.4117(3) 0.0901(3) 0.041(1) Uani 1.00 d . . . C(24) C 0.2325(2) 0.4711(2) 0.1457(2) 0.0369(9) Uani 1.00 d . . . C(25) C 0.2182(3) 0.4410(2) 0.2054(2) 0.039(1) Uani 1.00 d . . . C(26) C 0.1750(2) 0.3920(2) 0.2084(2) 0.035(1) Uani 1.00 d . . . C(28) C 0.2884(2) 0.5095(2) 0.2327(2) 0.038(1) Uani 1.00 d . . . C(32) C 0.3638(3) 0.3784(2) 0.2933(3) 0.044(1) Uani 1.00 d . . . C(34) C 0.4085(3) 0.2930(2) 0.2499(3) 0.045(1) Uani 1.00 d . . . C(35) C 0.3549(2) 0.2612(2) 0.2612(3) 0.038(1) Uani 1.00 d . . . C(36) C 0.3010(3) 0.2874(2) 0.2914(2) 0.037(1) Uani 1.00 d . . . C(38) C 0.4178(3) 0.1947(2) 0.2171(3) 0.046(1) Uani 1.00 d . . . C(101) C 0.2293(3) 0.2343(3) -0.0994(3) 0.048(1) Uani 1.00 d . . . C(102) C 0.2996(3) 0.2470(3) -0.1043(3) 0.061(2) Uani 1.00 d . . . C(103) C 0.3180(4) 0.2109(4) -0.1684(4) 0.082(2) Uani 1.00 d . . . C(104) C 0.2755(3) 0.1537(4) -0.1636(4) 0.076(2) Uani 1.00 d . . . C(105) C 0.3038(6) 0.0932(6) -0.1298(6) 0.123(4) Uani 1.00 d . . . C(110) C 0.0023(3) 0.2797(3) 0.2027(3) 0.052(1) Uani 1.00 d . . . C(111) C 0.0016(3) 0.3465(3) 0.1881(3) 0.054(1) Uani 1.00 d . . . C(112) C -0.0050(3) 0.3530(3) 0.1161(3) 0.055(2) Uani 1.00 d . . . C(113) C -0.0102(3) 0.2926(4) 0.0867(3) 0.056(2) Uani 1.00 d . . . C(114) C -0.0042(2) 0.2473(3) 0.1408(3) 0.053(1) Uani 1.00 d . . . C(115) C 0.0087(4) 0.2519(4) 0.2720(4) 0.073(2) Uani 1.00 d . . . C(116) C 0.0039(4) 0.3975(4) 0.2399(5) 0.080(2) Uani 1.00 d . . . C(117) C -0.0097(4) 0.4152(4) 0.0804(5) 0.088(3) Uani 1.00 d . . . C(118) C -0.0212(4) 0.2789(5) 0.0120(4) 0.087(3) Uani 1.00 d . . . C(119) C -0.0087(4) 0.1784(4) 0.1328(6) 0.093(3) Uani 1.00 d . . . C(201) C 0.3105(3) 0.5551(3) 0.1127(2) 0.040(1) Uani 1.00 d . . . C(202) C 0.3479(3) 0.6074(3) 0.1446(3) 0.050(1) Uani 1.00 d . . . C(203) C 0.4131(3) 0.5772(3) 0.1569(3) 0.057(1) Uani 1.00 d . . . C(204) C 0.4193(3) 0.5335(3) 0.0965(3) 0.049(1) Uani 1.00 d . . . C(205) C 0.4521(4) 0.4732(3) 0.1156(4) 0.073(2) Uani 1.00 d . . . C(210) C 0.2308(3) 0.3722(3) 0.4500(2) 0.045(1) Uani 1.00 d . . . C(211) C 0.2697(3) 0.4278(2) 0.4450(2) 0.041(1) Uani 1.00 d . . . C(212) C 0.2302(3) 0.4786(2) 0.4247(2) 0.043(1) Uani 1.00 d . . . C(213) C 0.1676(3) 0.4542(3) 0.4128(3) 0.052(1) Uani 1.00 d . . . C(214) C 0.1673(3) 0.3881(3) 0.4322(3) 0.054(2) Uani 1.00 d . . . C(215) C 0.2536(4) 0.3097(3) 0.4750(3) 0.066(2) Uani 1.00 d . . . C(216) C 0.3384(3) 0.4305(3) 0.4652(3) 0.060(2) Uani 1.00 d . . . C(217) C 0.2500(4) 0.5440(3) 0.4147(3) 0.062(2) Uani 1.00 d . . . C(218) C 0.1094(3) 0.4914(4) 0.3949(4) 0.076(2) Uani 1.00 d . . . C(219) C 0.1130(4) 0.3450(5) 0.4318(3) 0.083(2) Uani 1.00 d . . . C(301) C 0.5175(3) 0.2584(3) 0.2028(4) 0.052(1) Uani 1.00 d . . . C(302) C 0.5323(3) 0.3195(3) 0.1670(3) 0.052(1) Uani 1.00 d . . . C(303) C 0.5717(3) 0.3561(3) 0.2200(3) 0.058(2) Uani 1.00 d . . . C(304) C 0.6019(3) 0.3030(3) 0.2634(4) 0.065(2) Uani 1.00 d . . . C(305) C 0.6159(6) 0.3262(4) 0.3362(5) 0.120(4) Uani 1.00 d . . . C(310) C 0.2035(3) 0.0800(3) 0.2774(4) 0.067(2) Uani 1.00 d . . . C(311) C 0.2105(3) 0.1131(3) 0.3410(4) 0.067(2) Uani 1.00 d . . . C(312) C 0.2745(4) 0.1083(3) 0.3616(3) 0.063(2) Uani 1.00 d . . . C(313) C 0.3078(3) 0.0720(3) 0.3109(4) 0.060(2) Uani 1.00 d . . . C(314) C 0.2625(4) 0.0561(3) 0.2594(3) 0.058(2) Uani 1.00 d . . . C(315) C 0.1410(4) 0.0716(4) 0.2426(6) 0.102(3) Uani 1.00 d . . . C(316) C 0.1601(5) 0.1433(5) 0.3835(6) 0.112(4) Uani 1.00 d . . . C(317) C 0.3062(6) 0.1357(5) 0.4274(4) 0.105(3) Uani 1.00 d . . . C(318) C 0.3767(4) 0.0533(4) 0.3104(5) 0.088(3) Uani 1.00 d . . . C(319) C 0.2750(6) 0.0154(3) 0.1972(5) 0.096(3) Uani 1.00 d . . . C(401) C 0.3317(5) 0.3367(5) 0.0841(6) 0.099(3) Uani 1.00 d . . . C(501) C -0.0080(5) 0.4773(4) -0.1152(5) 0.088(3) Uani 1.00 d . . . C(502) C 0.5892(5) 0.5056(4) -0.0527(6) 0.099(3) Uani 1.00 d . . . C(503) C 0.4305 0.4152 -0.3374 0.1793 Uiso 1.00 d . . . H(1) H 0.3185 0.3764 0.1053 0.1220 Uiso 1.00 calc . . . H(2) H 0.2962 0.3117 0.0785 0.1220 Uiso 1.00 calc . . . H(3) H 0.3624 0.3185 0.1128 0.1220 Uiso 1.00 calc . . . H(4) H 0.1450 0.2310 0.2366 0.0499 Uiso 1.00 calc . . . H(5) H 0.3160 0.1378 0.1212 0.0551 Uiso 1.00 calc . . . H(6) H 0.1251 0.2976 -0.0479 0.0488 Uiso 1.00 calc . . . H(7) H -0.0273 0.2269 0.2825 0.0907 Uiso 1.00 calc . . . H(8) H 0.0462 0.2273 0.2747 0.0907 Uiso 1.00 calc . . . H(9) H 0.0116 0.2848 0.3060 0.0907 Uiso 1.00 calc . . . H(10) H 0.0075 0.3811 0.2851 0.0977 Uiso 1.00 calc . . . H(11) H 0.0374 0.4261 0.2315 0.0977 Uiso 1.00 calc . . . H(12) H -0.0360 0.4216 0.2386 0.0977 Uiso 1.00 calc . . . H(13) H 0.0270 0.4416 0.0901 0.1065 Uiso 1.00 calc . . . H(14) H -0.0141 0.4116 0.0327 0.1065 Uiso 1.00 calc . . . H(15) H -0.0464 0.4393 0.0975 0.1065 Uiso 1.00 calc . . . H(16) H -0.0591 0.2996 -0.0037 0.1131 Uiso 1.00 calc . . . H(17) H 0.0139 0.2984 -0.0150 0.1131 Uiso 1.00 calc . . . H(18) H -0.0221 0.2370 0.0022 0.1131 Uiso 1.00 calc . . . H(19) H -0.0450 0.1611 0.1573 0.1121 Uiso 1.00 calc . . . H(20) H -0.0123 0.1650 0.0861 0.1121 Uiso 1.00 calc . . . H(21) H 0.0285 0.1568 0.1518 0.1121 Uiso 1.00 calc . . . H(22) H 0.1358 0.3358 0.2793 0.0497 Uiso 1.00 calc . . . H(23) H 0.1417 0.4011 0.0488 0.0468 Uiso 1.00 calc . . . H(24) H 0.3179 0.5349 0.2584 0.0456 Uiso 1.00 calc . . . H(25) H 0.2201 0.2798 0.4739 0.0806 Uiso 1.00 calc . . . H(26) H 0.2878 0.2950 0.4469 0.0806 Uiso 1.00 calc . . . H(27) H 0.2688 0.3131 0.5212 0.0806 Uiso 1.00 calc . . . H(28) H 0.3445 0.4216 0.5123 0.0696 Uiso 1.00 calc . . . H(29) H 0.3637 0.4025 0.4384 0.0696 Uiso 1.00 calc . . . H(30) H 0.3553 0.4726 0.4570 0.0696 Uiso 1.00 calc . . . H(31) H 0.2670 0.5606 0.4560 0.0747 Uiso 1.00 calc . . . H(32) H 0.2814 0.5465 0.3795 0.0747 Uiso 1.00 calc . . . H(33) H 0.2142 0.5689 0.4012 0.0747 Uiso 1.00 calc . . . H(34) H 0.1203 0.5338 0.3829 0.0922 Uiso 1.00 calc . . . H(35) H 0.0880 0.4736 0.3553 0.0922 Uiso 1.00 calc . . . H(36) H 0.0795 0.4927 0.4315 0.0922 Uiso 1.00 calc . . . H(37) H 0.0752 0.3702 0.4182 0.0995 Uiso 1.00 calc . . . H(38) H 0.1189 0.3140 0.4003 0.0995 Uiso 1.00 calc . . . H(39) H 0.1056 0.3307 0.4764 0.0995 Uiso 1.00 calc . . . H(40) H 0.2132 0.2634 0.3217 0.0475 Uiso 1.00 calc . . . H(41) H 0.3659 0.4226 0.3052 0.0527 Uiso 1.00 calc . . . H(42) H 0.4349 0.1563 0.1990 0.0565 Uiso 1.00 calc . . . H(43) H 0.1226 0.1087 0.2302 0.1175 Uiso 1.00 calc . . . H(44) H 0.1473 0.0459 0.2004 0.1175 Uiso 1.00 calc . . . H(45) H 0.1128 0.0469 0.2707 0.1175 Uiso 1.00 calc . . . H(46) H 0.1677 0.1837 0.3918 0.1348 Uiso 1.00 calc . . . H(47) H 0.1193 0.1382 0.3584 0.1348 Uiso 1.00 calc . . . H(48) H 0.1544 0.1191 0.4252 0.1348 Uiso 1.00 calc . . . H(49) H 0.3249 0.1017 0.4543 0.1304 Uiso 1.00 calc . . . H(50) H 0.3415 0.1626 0.4148 0.1304 Uiso 1.00 calc . . . H(51) H 0.2776 0.1574 0.4543 0.1304 Uiso 1.00 calc . . . H(52) H 0.3808 0.0087 0.3094 0.1091 Uiso 1.00 calc . . . H(53) H 0.3974 0.0694 0.2696 0.1091 Uiso 1.00 calc . . . H(54) H 0.3981 0.0692 0.3492 0.1091 Uiso 1.00 calc . . . H(55) H 0.2519 -0.0225 0.1995 0.1119 Uiso 1.00 calc . . . H(56) H 0.2652 0.0369 0.1561 0.1119 Uiso 1.00 calc . . . H(57) H 0.3203 0.0044 0.1954 0.1119 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) 0.0275(2) 0.0467(2) 0.0395(2) -0.0019(2) 0.0025(2) 0.0003(2) Rh(2) 0.0369(2) 0.0414(2) 0.0266(2) 0.0035(2) 0.0050(2) -0.0013(1) Rh(3) 0.0377(2) 0.0344(2) 0.0463(2) -0.0020(2) 0.0000(2) 0.0076(2) S(1) 0.0629(9) 0.0531(9) 0.0664(10) -0.0157(7) 0.0066(8) 0.0081(8) S(2) 0.061(1) 0.070(1) 0.091(1) 0.0066(9) 0.0173(10) 0.000(1) F(1) 0.134(6) 0.170(6) 0.156(6) 0.008(5) 0.009(5) -0.074(6) F(2) 0.165(7) 0.158(6) 0.168(7) 0.064(5) -0.011(5) 0.060(5) F(3) 0.059(3) 0.191(7) 0.169(6) -0.009(4) 0.021(3) 0.014(5) F(4) 0.106(5) 0.143(6) 0.157(6) 0.024(4) -0.023(4) 0.013(5) F(5) 0.143(6) 0.105(4) 0.229(8) 0.007(4) 0.085(6) 0.067(5) F(6) 0.164(6) 0.090(4) 0.188(7) 0.054(4) 0.069(5) -0.014(4) O(51) 0.074(3) 0.083(3) 0.068(3) -0.032(3) 0.012(2) -0.003(3) O(52) 0.101(5) 0.159(6) 0.116(5) 0.037(5) 0.031(4) 0.086(5) O(53) 0.123(6) 0.093(4) 0.132(5) -0.057(4) 0.016(4) -0.035(4) O(54) 0.119(6) 0.146(7) 0.139(6) -0.021(5) -0.051(5) -0.010(5) O(55) 0.074(4) 0.096(4) 0.148(6) 0.007(3) 0.027(4) 0.044(4) O(56) 0.130(6) 0.094(4) 0.119(5) 0.054(4) 0.041(4) -0.005(4) O(101) 0.041(2) 0.070(3) 0.058(2) 0.002(2) -0.002(2) -0.024(2) O(102) 0.100(4) 0.083(4) 0.060(3) -0.028(3) 0.013(3) 0.000(3) O(103) 0.132(6) 0.163(6) 0.047(3) -0.012(5) 0.019(3) -0.013(4) O(105) 0.132(8) 0.25(1) 0.164(9) 0.084(8) -0.014(7) -0.012(8) O(201) 0.044(2) 0.069(3) 0.043(2) -0.004(2) 0.002(2) -0.008(2) O(202) 0.098(4) 0.055(2) 0.056(3) -0.014(3) 0.004(2) 0.018(2) O(203) 0.060(3) 0.101(4) 0.086(4) -0.031(3) 0.003(3) -0.030(3) O(205) 0.064(3) 0.071(3) 0.107(4) 0.004(2) 0.008(3) -0.016(3) O(301) 0.050(2) 0.055(3) 0.100(4) -0.011(2) -0.002(2) 0.019(3) O(302) 0.058(3) 0.060(3) 0.067(3) -0.006(2) 0.025(2) -0.008(2) O(303) 0.077(3) 0.040(2) 0.092(3) -0.017(2) 0.024(3) -0.002(2) O(305) 0.30(1) 0.096(5) 0.175(8) -0.058(7) -0.134(9) 0.052(5) O(401) 0.115(5) 0.104(4) 0.088(4) -0.031(4) -0.019(4) -0.012(4) N(11) 0.037(2) 0.041(2) 0.052(3) 0.001(2) -0.002(2) 0.004(2) N(13) 0.045(3) 0.049(2) 0.046(2) 0.014(2) 0.004(2) -0.006(2) N(16) 0.041(2) 0.050(3) 0.033(2) 0.000(2) 0.003(2) 0.003(2) N(17) 0.037(2) 0.044(2) 0.042(2) -0.001(2) -0.003(2) -0.006(2) N(19) 0.041(2) 0.048(3) 0.042(2) -0.004(2) 0.001(2) -0.001(2) N(21) 0.038(2) 0.045(2) 0.027(2) 0.001(2) 0.001(2) 0.001(2) N(23) 0.043(2) 0.042(2) 0.034(2) -0.006(2) -0.002(2) 0.003(2) N(26) 0.043(2) 0.047(2) 0.037(2) 0.000(2) 0.012(2) 0.001(2) N(27) 0.037(2) 0.042(2) 0.029(2) -0.002(2) 0.002(1) -0.001(2) N(29) 0.044(2) 0.036(2) 0.030(2) -0.003(2) 0.003(2) 0.002(2) N(31) 0.033(2) 0.040(2) 0.035(2) -0.001(2) 0.008(2) -0.008(2) N(33) 0.038(2) 0.037(2) 0.058(3) -0.001(2) 0.015(2) -0.003(2) N(36) 0.030(2) 0.041(2) 0.046(2) 0.001(2) 0.007(2) 0.001(2) N(37) 0.037(2) 0.031(2) 0.055(2) 0.000(2) 0.009(2) -0.001(2) N(39) 0.038(2) 0.035(2) 0.073(3) 0.000(2) 0.021(2) -0.009(2) C(12) 0.045(3) 0.043(3) 0.051(3) 0.005(2) 0.000(2) 0.001(2) C(14) 0.035(2) 0.049(3) 0.040(2) 0.001(2) -0.001(2) -0.005(2) C(15) 0.035(3) 0.045(3) 0.045(3) 0.002(2) -0.001(2) 0.002(2) C(16) 0.030(2) 0.038(2) 0.046(3) -0.003(2) 0.000(2) -0.003(2) C(18) 0.035(3) 0.042(3) 0.042(3) 0.001(2) -0.003(2) 0.000(2) C(22) 0.039(3) 0.048(3) 0.035(2) 0.000(2) -0.001(2) 0.001(2) C(24) 0.039(2) 0.042(2) 0.030(2) 0.001(2) 0.000(2) 0.000(2) C(25) 0.044(3) 0.047(3) 0.027(2) 0.001(2) 0.001(2) 0.001(2) C(26) 0.030(2) 0.038(3) 0.036(2) 0.004(2) 0.006(2) 0.000(2) C(28) 0.043(3) 0.040(3) 0.029(2) -0.004(2) 0.002(2) 0.002(2) C(32) 0.038(3) 0.040(3) 0.054(3) -0.005(2) 0.012(2) -0.014(2) C(34) 0.043(3) 0.037(3) 0.055(3) 0.002(2) 0.010(2) -0.004(2) C(35) 0.032(2) 0.034(2) 0.049(3) -0.003(2) 0.005(2) -0.005(2) C(36) 0.041(3) 0.036(3) 0.036(2) 0.006(2) 0.004(2) 0.003(2) C(38) 0.042(3) 0.037(3) 0.061(3) 0.004(2) 0.006(2) -0.001(2) C(101) 0.045(3) 0.065(3) 0.035(2) -0.001(3) 0.005(2) -0.009(2) C(102) 0.058(4) 0.067(4) 0.058(4) -0.012(3) 0.011(3) -0.016(3) C(103) 0.070(5) 0.114(7) 0.061(4) -0.005(4) 0.019(4) -0.035(4) C(104) 0.046(3) 0.102(5) 0.081(5) 0.007(4) 0.010(3) -0.050(4) C(105) 0.113(8) 0.135(9) 0.119(8) 0.064(7) -0.017(7) -0.040(7) C(110) 0.036(3) 0.070(4) 0.050(3) -0.004(3) 0.007(2) 0.016(3) C(111) 0.033(3) 0.076(4) 0.054(3) 0.006(3) 0.012(2) 0.004(3) C(112) 0.031(3) 0.078(4) 0.056(3) 0.005(3) 0.005(2) 0.007(3) C(113) 0.023(2) 0.094(5) 0.051(3) -0.006(3) -0.001(2) -0.004(3) C(114) 0.029(2) 0.059(3) 0.071(4) -0.009(2) 0.009(3) -0.002(3) C(115) 0.059(4) 0.095(5) 0.066(4) -0.010(4) 0.009(3) 0.023(4) C(116) 0.062(4) 0.078(5) 0.101(6) 0.005(4) 0.016(4) -0.023(4) C(117) 0.052(4) 0.089(6) 0.122(7) 0.012(4) 0.004(4) 0.047(5) C(118) 0.048(4) 0.147(8) 0.068(5) -0.003(4) -0.017(3) -0.028(5) C(119) 0.066(5) 0.078(5) 0.136(8) -0.022(4) 0.019(5) -0.029(5) C(201) 0.048(3) 0.042(3) 0.030(2) -0.005(2) 0.004(2) -0.002(2) C(202) 0.061(3) 0.040(3) 0.049(3) -0.012(2) -0.004(3) 0.002(2) C(203) 0.048(3) 0.073(4) 0.049(3) -0.019(3) 0.000(3) -0.003(3) C(204) 0.040(3) 0.056(3) 0.051(3) -0.009(3) 0.006(2) 0.002(2) C(205) 0.062(4) 0.059(4) 0.097(6) 0.011(3) -0.013(4) 0.004(4) C(210) 0.059(3) 0.052(3) 0.024(2) 0.003(3) 0.007(2) 0.000(2) C(211) 0.051(3) 0.041(3) 0.032(2) 0.005(3) 0.004(2) -0.007(2) C(212) 0.054(3) 0.046(3) 0.028(2) 0.008(3) 0.003(2) -0.007(2) C(213) 0.055(3) 0.070(4) 0.030(3) 0.017(3) 0.011(2) 0.001(3) C(214) 0.045(3) 0.083(5) 0.033(3) -0.006(3) 0.012(2) 0.001(3) C(215) 0.103(6) 0.054(4) 0.042(3) 0.012(3) 0.007(3) 0.015(3) C(216) 0.054(4) 0.080(5) 0.045(3) 0.006(3) -0.004(3) -0.007(3) C(217) 0.101(6) 0.047(3) 0.039(3) 0.015(3) 0.000(3) -0.006(2) C(218) 0.056(4) 0.108(6) 0.064(4) 0.043(4) 0.001(3) -0.011(4) C(219) 0.072(5) 0.131(7) 0.047(4) -0.038(5) 0.018(3) -0.005(4) C(301) 0.037(3) 0.045(3) 0.076(4) 0.008(2) 0.016(3) 0.007(3) C(302) 0.043(3) 0.045(3) 0.069(4) 0.001(2) 0.021(3) 0.002(3) C(303) 0.061(4) 0.037(3) 0.075(4) 0.001(3) 0.025(3) 0.001(3) C(304) 0.068(4) 0.041(3) 0.085(4) -0.015(3) -0.006(3) -0.007(3) C(305) 0.18(1) 0.075(6) 0.104(7) -0.020(6) -0.041(7) 0.026(5) C(310) 0.058(4) 0.055(4) 0.088(5) -0.024(3) -0.013(4) 0.026(4) C(311) 0.057(4) 0.060(4) 0.084(5) -0.002(3) 0.017(3) 0.024(4) C(312) 0.087(5) 0.042(3) 0.059(3) -0.004(3) -0.003(4) 0.025(3) C(313) 0.064(4) 0.041(3) 0.074(4) -0.002(3) -0.003(3) 0.019(3) C(314) 0.076(4) 0.031(3) 0.068(4) -0.007(3) -0.004(3) 0.007(3) C(315) 0.080(6) 0.095(6) 0.131(8) -0.040(5) -0.044(5) 0.040(6) C(316) 0.092(7) 0.120(8) 0.125(8) 0.016(6) 0.062(6) 0.025(6) C(317) 0.156(9) 0.097(7) 0.063(5) 0.009(6) -0.027(5) 0.010(4) C(318) 0.058(4) 0.074(5) 0.131(7) 0.014(4) -0.004(5) 0.032(5) C(319) 0.142(8) 0.055(4) 0.090(6) -0.012(5) -0.001(6) -0.015(4) C(401) 0.097(7) 0.097(7) 0.103(7) -0.028(5) -0.009(5) -0.020(6) C(501) 0.092(7) 0.078(6) 0.093(6) 0.004(5) -0.020(5) -0.001(5) C(502) 0.071(6) 0.086(6) 0.138(9) 0.018(5) 0.034(6) 0.003(6) #------------------------------------------------------------------------------ _computing_data_collection 'PROCESS-AUTO' _computing_cell_refinement 'PROCESS-AUTO' _computing_data_reduction 'teXsan Ver. 1.10' _computing_structure_solution SHELXS86 _computing_structure_refinement 'SHELXL93' _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) N(16) 2.170(4) . . yes Rh(1) N(17) 2.142(4) . . yes Rh(1) N(21) 2.142(4) . . yes Rh(1) C(110) 2.132(6) . . yes Rh(1) C(111) 2.152(6) . . yes Rh(1) C(112) 2.140(6) . . yes Rh(1) C(113) 2.151(5) . . yes Rh(1) C(114) 2.127(5) . . yes Rh(2) N(26) 2.159(4) . . yes Rh(2) N(27) 2.162(4) . . yes Rh(2) N(31) 2.171(4) . . yes Rh(2) C(210) 2.149(4) . . yes Rh(2) C(211) 2.152(5) . . yes Rh(2) C(212) 2.180(5) . . yes Rh(2) C(213) 2.112(6) . . yes Rh(2) C(214) 2.166(6) . . yes Rh(3) N(11) 2.151(4) . . yes Rh(3) N(36) 2.154(4) . . yes Rh(3) N(37) 2.172(4) . . yes Rh(3) C(310) 2.148(7) . . yes Rh(3) C(311) 2.130(7) . . yes Rh(3) C(312) 2.134(6) . . yes Rh(3) C(313) 2.159(6) . . yes Rh(3) C(314) 2.144(5) . . yes S(1) O(51) 1.418(5) . . yes S(1) O(52) 1.399(7) . . yes S(1) O(53) 1.454(7) . . yes S(1) C(501) 1.79(1) . . yes S(2) O(54) 1.433(9) . . yes S(2) O(55) 1.428(7) . . yes S(2) O(56) 1.420(7) . . yes S(2) C(502) 1.75(1) . . yes S(3) S(3B) 0.917 . . yes S(3) O(57) 1.479 . . yes S(3) O(58) 1.364 . . yes S(3) O(59) 1.702 . . yes S(3) C(503) 1.671 . . yes S(3B) F(9) 1.767 . . yes S(3B) O(57) 1.438 . . yes S(3B) O(58) 1.627 . . yes S(3B) C(503) 1.538 . . yes F(1) C(501) 1.29(1) . . yes F(2) C(501) 1.34(1) . . yes F(3) C(501) 1.32(1) . . yes F(4) C(502) 1.35(1) . . yes F(5) C(502) 1.29(1) . . yes F(6) C(502) 1.33(1) . . yes F(7) C(503) 1.255 . . yes F(8) C(503) 1.381 . . yes F(9) C(503) 1.507 . . yes O(101) C(101) 1.429(7) . . yes O(101) C(104) 1.454(8) . . yes O(102) C(102) 1.409(9) . . yes O(103) C(103) 1.42(1) . . yes O(105) C(105) 1.41(2) . . yes O(201) C(201) 1.424(7) . . yes O(201) C(204) 1.449(7) . . yes O(202) C(202) 1.438(7) . . yes O(203) C(203) 1.404(8) . . yes O(205) C(205) 1.459(10) . . yes O(301) C(301) 1.406(8) . . yes O(301) C(304) 1.453(8) . . yes O(302) C(302) 1.438(8) . . yes O(303) C(303) 1.409(8) . . yes O(305) C(305) 1.45(1) . . yes O(401) C(401) 1.45(1) . . yes O(501) O(504) 1.38(4) . . yes O(502) O(505) 1.20(5) . . yes N(11) C(12) 1.371(7) . . yes N(11) C(16) 1.363(6) . . yes N(13) C(12) 1.293(7) . . yes N(13) C(14) 1.343(7) . . yes N(16) C(16) 1.288(7) . . yes N(17) C(15) 1.354(7) . . yes N(17) C(18) 1.334(7) . . yes N(19) C(14) 1.375(7) . . yes N(19) C(18) 1.383(7) . . yes N(19) C(101) 1.465(7) . . yes N(21) C(22) 1.387(7) . . yes N(21) C(26) 1.360(6) . . yes N(23) C(22) 1.318(7) . . yes N(23) C(24) 1.355(6) . . yes N(26) C(26) 1.319(6) . . yes N(27) C(25) 1.366(6) . . yes N(27) C(28) 1.327(6) . . yes N(29) C(24) 1.378(6) . . yes N(29) C(28) 1.386(6) . . yes N(29) C(201) 1.469(6) . . yes N(31) C(32) 1.360(7) . . yes N(31) C(36) 1.366(7) . . yes N(33) C(32) 1.327(7) . . yes N(33) C(34) 1.374(6) . . yes N(36) C(36) 1.311(7) . . yes N(37) C(35) 1.368(6) . . yes N(37) C(38) 1.312(7) . . yes N(39) C(34) 1.388(7) . . yes N(39) C(38) 1.386(7) . . yes N(39) C(301) 1.454(7) . . yes C(14) C(15) 1.367(7) . . yes C(15) C(16) 1.427(7) . . yes C(24) C(25) 1.363(6) . . yes C(25) C(26) 1.387(7) . . yes C(34) C(35) 1.333(7) . . yes C(35) C(36) 1.393(7) . . yes C(101) C(102) 1.506(9) . . yes C(102) C(103) 1.52(1) . . yes C(103) C(104) 1.52(1) . . yes C(104) C(105) 1.57(1) . . yes C(110) C(111) 1.457(10) . . yes C(110) C(114) 1.396(9) . . yes C(110) C(115) 1.482(10) . . yes C(111) C(112) 1.416(9) . . yes C(111) C(116) 1.49(1) . . yes C(112) C(113) 1.42(1) . . yes C(112) C(117) 1.50(1) . . yes C(113) C(114) 1.436(9) . . yes C(113) C(118) 1.504(10) . . yes C(114) C(119) 1.48(1) . . yes C(201) C(202) 1.501(8) . . yes C(202) C(203) 1.534(9) . . yes C(203) C(204) 1.508(8) . . yes C(204) C(205) 1.509(9) . . yes C(210) C(211) 1.445(8) . . yes C(210) C(214) 1.422(9) . . yes C(210) C(215) 1.499(8) . . yes C(211) C(212) 1.422(8) . . yes C(211) C(216) 1.498(9) . . yes C(212) C(213) 1.435(9) . . yes C(212) C(217) 1.470(8) . . yes C(213) C(214) 1.461(9) . . yes C(213) C(218) 1.500(10) . . yes C(214) C(219) 1.47(1) . . yes C(301) C(302) 1.512(8) . . yes C(302) C(303) 1.538(9) . . yes C(303) C(304) 1.552(9) . . yes C(304) C(305) 1.53(1) . . yes C(310) C(311) 1.43(1) . . yes C(310) C(314) 1.39(1) . . yes C(310) C(315) 1.49(1) . . yes C(311) C(312) 1.41(1) . . yes C(311) C(316) 1.49(1) . . yes C(312) C(313) 1.438(10) . . yes C(312) C(317) 1.56(1) . . yes C(313) C(314) 1.424(10) . . yes C(313) C(318) 1.50(1) . . yes C(314) C(319) 1.52(1) . . 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 N(16) Rh(1) N(17) 78.9(2) . 1_555 1_555 yes N(16) Rh(1) N(21) 89.0(2) . 1_555 1_555 yes N(16) Rh(1) C(110) 95.1(2) . 1_555 1_555 yes N(16) Rh(1) C(111) 123.6(2) . 1_555 1_555 yes N(16) Rh(1) C(112) 160.3(2) . 1_555 1_555 yes N(16) Rh(1) C(113) 137.0(2) . 1_555 1_555 yes N(16) Rh(1) C(114) 101.4(2) . 1_555 1_555 yes N(17) Rh(1) N(21) 85.7(2) . 1_555 1_555 yes N(17) Rh(1) C(110) 146.0(2) . 1_555 1_555 yes N(17) Rh(1) C(111) 157.1(2) . 1_555 1_555 yes N(17) Rh(1) C(112) 118.6(2) . 1_555 1_555 yes N(17) Rh(1) C(113) 96.9(2) . 1_555 1_555 yes N(17) Rh(1) C(114) 109.5(2) . 1_555 1_555 yes N(21) Rh(1) C(110) 128.0(2) . 1_555 1_555 yes N(21) Rh(1) C(111) 97.4(2) . 1_555 1_555 yes N(21) Rh(1) C(112) 100.6(2) . 1_555 1_555 yes N(21) Rh(1) C(113) 133.7(2) . 1_555 1_555 yes N(21) Rh(1) C(114) 162.8(2) . 1_555 1_555 yes C(110) Rh(1) C(111) 39.8(3) . 1_555 1_555 yes C(110) Rh(1) C(112) 65.4(2) . 1_555 1_555 yes C(110) Rh(1) C(113) 64.7(2) . 1_555 1_555 yes C(110) Rh(1) C(114) 38.3(2) . 1_555 1_555 yes C(111) Rh(1) C(112) 38.5(2) . 1_555 1_555 yes C(111) Rh(1) C(113) 64.6(2) . 1_555 1_555 yes C(111) Rh(1) C(114) 65.5(2) . 1_555 1_555 yes C(112) Rh(1) C(113) 38.5(3) . 1_555 1_555 yes C(112) Rh(1) C(114) 65.5(2) . 1_555 1_555 yes C(113) Rh(1) C(114) 39.2(2) . 1_555 1_555 yes N(26) Rh(2) N(27) 79.3(2) . 1_555 1_555 yes N(26) Rh(2) N(31) 90.0(2) . 1_555 1_555 yes N(26) Rh(2) C(210) 121.8(2) . 1_555 1_555 yes N(26) Rh(2) C(211) 160.0(2) . 1_555 1_555 yes N(26) Rh(2) C(212) 139.5(2) . 1_555 1_555 yes N(26) Rh(2) C(213) 103.4(2) . 1_555 1_555 yes N(26) Rh(2) C(214) 95.4(2) . 1_555 1_555 yes N(27) Rh(2) N(31) 83.3(1) . 1_555 1_555 yes N(27) Rh(2) C(210) 158.8(2) . 1_555 1_555 yes N(27) Rh(2) C(211) 119.5(2) . 1_555 1_555 yes N(27) Rh(2) C(212) 97.8(2) . 1_555 1_555 yes N(27) Rh(2) C(213) 109.3(2) . 1_555 1_555 yes N(27) Rh(2) C(214) 147.1(2) . 1_555 1_555 yes N(31) Rh(2) C(210) 98.3(2) . 1_555 1_555 yes N(31) Rh(2) C(211) 98.6(2) . 1_555 1_555 yes N(31) Rh(2) C(212) 130.1(2) . 1_555 1_555 yes N(31) Rh(2) C(213) 163.0(2) . 1_555 1_555 yes N(31) Rh(2) C(214) 129.5(2) . 1_555 1_555 yes C(210) Rh(2) C(211) 39.3(2) . 1_555 1_555 yes C(210) Rh(2) C(212) 65.0(2) . 1_555 1_555 yes C(210) Rh(2) C(213) 65.8(2) . 1_555 1_555 yes C(210) Rh(2) C(214) 38.5(2) . 1_555 1_555 yes C(211) Rh(2) C(212) 38.3(2) . 1_555 1_555 yes C(211) Rh(2) C(213) 65.4(2) . 1_555 1_555 yes C(211) Rh(2) C(214) 65.2(2) . 1_555 1_555 yes C(212) Rh(2) C(213) 39.0(2) . 1_555 1_555 yes C(212) Rh(2) C(214) 65.4(2) . 1_555 1_555 yes C(213) Rh(2) C(214) 39.9(2) . 1_555 1_555 yes N(11) Rh(3) N(36) 90.6(2) . 1_555 1_555 yes N(11) Rh(3) N(37) 85.2(2) . 1_555 1_555 yes N(11) Rh(3) C(310) 97.5(2) . 1_555 1_555 yes N(11) Rh(3) C(311) 127.2(2) . 1_555 1_555 yes N(11) Rh(3) C(312) 162.4(2) . 1_555 1_555 yes N(11) Rh(3) C(313) 134.0(2) . 1_555 1_555 yes N(11) Rh(3) C(314) 100.9(2) . 1_555 1_555 yes N(36) Rh(3) N(37) 79.1(2) . 1_555 1_555 yes N(36) Rh(3) C(310) 124.3(2) . 1_555 1_555 yes N(36) Rh(3) C(311) 94.9(2) . 1_555 1_555 yes N(36) Rh(3) C(312) 100.1(2) . 1_555 1_555 yes N(36) Rh(3) C(313) 135.1(2) . 1_555 1_555 yes N(36) Rh(3) C(314) 159.4(2) . 1_555 1_555 yes N(37) Rh(3) C(310) 156.2(2) . 1_555 1_555 yes N(37) Rh(3) C(311) 147.3(2) . 1_555 1_555 yes N(37) Rh(3) C(312) 110.3(2) . 1_555 1_555 yes N(37) Rh(3) C(313) 96.8(2) . 1_555 1_555 yes N(37) Rh(3) C(314) 118.5(2) . 1_555 1_555 yes C(310) Rh(3) C(311) 39.2(3) . 1_555 1_555 yes C(310) Rh(3) C(312) 65.0(3) . 1_555 1_555 yes C(310) Rh(3) C(313) 64.4(3) . 1_555 1_555 yes C(310) Rh(3) C(314) 37.7(3) . 1_555 1_555 yes C(311) Rh(3) C(312) 38.5(3) . 1_555 1_555 yes C(311) Rh(3) C(313) 64.9(3) . 1_555 1_555 yes C(311) Rh(3) C(314) 64.5(3) . 1_555 1_555 yes C(312) Rh(3) C(313) 39.1(3) . 1_555 1_555 yes C(312) Rh(3) C(314) 64.9(2) . 1_555 1_555 yes C(313) Rh(3) C(314) 38.7(3) . 1_555 1_555 yes O(51) S(1) O(52) 117.3(4) . 1_555 1_555 yes O(51) S(1) O(53) 113.3(4) . 1_555 1_555 yes O(51) S(1) C(501) 104.2(4) . 1_555 1_555 yes O(52) S(1) O(53) 113.8(4) . 1_555 1_555 yes O(52) S(1) C(501) 103.1(4) . 1_555 1_555 yes O(53) S(1) C(501) 102.8(4) . 1_555 1_555 yes O(54) S(2) O(55) 111.4(5) . 1_555 1_555 yes O(54) S(2) O(56) 117.2(5) . 1_555 1_555 yes O(54) S(2) C(502) 104.3(5) . 1_555 1_555 yes O(55) S(2) O(56) 114.0(4) . 1_555 1_555 yes O(55) S(2) C(502) 104.5(4) . 1_555 1_555 yes O(56) S(2) C(502) 103.6(5) . 1_555 1_555 yes S(3B) S(3) O(57) 69.3 . 1_555 1_555 yes S(3B) S(3) O(58) 88.7661(1) . 1_555 1_555 yes S(3B) S(3) O(59) 142.1007(3) . 1_555 1_555 yes S(3B) S(3) C(503) 65.5650(4) . 1_555 1_555 yes O(57) S(3) O(58) 126.2830(4) . 1_555 1_555 yes O(57) S(3) O(59) 118.4157(4) . 1_555 1_555 yes O(57) S(3) C(503) 103.1421(3) . 1_555 1_555 yes O(58) S(3) O(59) 108.9769(8) . 1_555 1_555 yes O(58) S(3) C(503) 111.2656(9) . 1_555 1_555 yes O(59) S(3) C(503) 76.7178(8) . 1_555 1_555 yes S(3) S(3B) F(9) 134.5922(3) . 1_555 1_555 yes S(3) S(3B) O(57) 74.1 . 1_555 1_555 yes S(3) S(3B) O(58) 56.9418(5) . 1_555 1_555 yes S(3) S(3B) C(503) 81.6 . 1_555 1_555 yes F(9) S(3B) O(57) 126.2087(4) . 1_555 1_555 yes F(9) S(3B) O(58) 122.1973(3) . 1_555 1_555 yes F(9) S(3B) C(503) 53.7207(3) . 1_555 1_555 yes O(57) S(3B) O(58) 111.6 . 1_555 1_555 yes O(57) S(3B) C(503) 112.1794(6) . 1_555 1_555 yes O(58) S(3B) C(503) 104.9801(9) . 1_555 1_555 yes S(3B) F(9) C(503) 55.3637(6) . 1_555 1_555 yes S(3) O(57) S(3B) 36.6 . 1_555 1_555 yes S(3) O(58) S(3B) 34.2921(3) . 1_555 1_555 yes C(101) O(101) C(104) 108.5(5) . 1_555 1_555 yes C(201) O(201) C(204) 110.0(4) . 1_555 1_555 yes C(301) O(301) C(304) 109.6(5) . 1_555 1_555 yes Rh(3) N(11) C(12) 119.5(3) . 1_555 1_555 yes Rh(3) N(11) C(16) 122.4(3) . 1_555 1_555 yes C(12) N(11) C(16) 118.0(4) . 1_555 1_555 yes C(12) N(13) C(14) 111.9(5) . 1_555 1_555 yes Rh(1) N(16) C(16) 114.0(3) . 1_555 1_555 yes Rh(1) N(17) C(15) 107.2(3) . 1_555 1_555 yes Rh(1) N(17) C(18) 148.3(4) . 1_555 1_555 yes C(15) N(17) C(18) 104.4(4) . 1_555 1_555 yes C(14) N(19) C(18) 108.2(4) . 1_555 1_555 yes C(14) N(19) C(101) 129.1(5) . 1_555 1_555 yes C(18) N(19) C(101) 122.7(4) . 1_555 1_555 yes Rh(1) N(21) C(22) 119.3(3) . 1_555 1_555 yes Rh(1) N(21) C(26) 122.6(3) . 1_555 1_555 yes C(22) N(21) C(26) 118.1(4) . 1_555 1_555 yes C(22) N(23) C(24) 111.3(4) . 1_555 1_555 yes Rh(2) N(26) C(26) 113.0(3) . 1_555 1_555 yes Rh(2) N(27) C(25) 105.8(3) . 1_555 1_555 yes Rh(2) N(27) C(28) 147.9(3) . 1_555 1_555 yes C(25) N(27) C(28) 105.6(4) . 1_555 1_555 yes C(24) N(29) C(28) 106.9(4) . 1_555 1_555 yes C(24) N(29) C(201) 124.1(4) . 1_555 1_555 yes C(28) N(29) C(201) 128.9(4) . 1_555 1_555 yes Rh(2) N(31) C(32) 118.1(3) . 1_555 1_555 yes Rh(2) N(31) C(36) 122.9(3) . 1_555 1_555 yes C(32) N(31) C(36) 119.0(4) . 1_555 1_555 yes C(32) N(33) C(34) 110.5(4) . 1_555 1_555 yes Rh(3) N(36) C(36) 113.1(3) . 1_555 1_555 yes Rh(3) N(37) C(35) 106.6(3) . 1_555 1_555 yes Rh(3) N(37) C(38) 148.6(4) . 1_555 1_555 yes C(35) N(37) C(38) 104.8(4) . 1_555 1_555 yes C(34) N(39) C(38) 105.2(4) . 1_555 1_555 yes C(34) N(39) C(301) 130.0(4) . 1_555 1_555 yes C(38) N(39) C(301) 124.6(5) . 1_555 1_555 yes N(11) C(12) N(13) 130.7(5) . 1_555 1_555 yes N(13) C(14) N(19) 132.6(5) . 1_555 1_555 yes N(13) C(14) C(15) 124.0(5) . 1_555 1_555 yes N(19) C(14) C(15) 103.4(5) . 1_555 1_555 yes N(17) C(15) C(14) 113.6(5) . 1_555 1_555 yes N(17) C(15) C(16) 125.0(5) . 1_555 1_555 yes C(14) C(15) C(16) 121.4(5) . 1_555 1_555 yes N(11) C(16) N(16) 131.3(5) . 1_555 1_555 yes N(11) C(16) C(15) 114.0(4) . 1_555 1_555 yes N(16) C(16) C(15) 114.7(4) . 1_555 1_555 yes N(17) C(18) N(19) 110.3(4) . 1_555 1_555 yes N(21) C(22) N(23) 129.2(5) . 1_555 1_555 yes N(23) C(24) N(29) 130.4(4) . 1_555 1_555 yes N(23) C(24) C(25) 124.0(5) . 1_555 1_555 yes N(29) C(24) C(25) 105.5(4) . 1_555 1_555 yes N(27) C(25) C(24) 111.4(4) . 1_555 1_555 yes N(27) C(25) C(26) 126.2(4) . 1_555 1_555 yes C(24) C(25) C(26) 122.4(4) . 1_555 1_555 yes N(21) C(26) N(26) 129.8(5) . 1_555 1_555 yes N(21) C(26) C(25) 115.0(4) . 1_555 1_555 yes N(26) C(26) C(25) 115.3(4) . 1_555 1_555 yes N(27) C(28) N(29) 110.6(4) . 1_555 1_555 yes N(31) C(32) N(33) 129.3(5) . 1_555 1_555 yes N(33) C(34) N(39) 129.9(5) . 1_555 1_555 yes N(33) C(34) C(35) 123.9(5) . 1_555 1_555 yes N(39) C(34) C(35) 106.2(4) . 1_555 1_555 yes N(37) C(35) C(34) 112.0(4) . 1_555 1_555 yes N(37) C(35) C(36) 124.4(4) . 1_555 1_555 yes C(34) C(35) C(36) 123.5(5) . 1_555 1_555 yes N(31) C(36) N(36) 129.7(5) . 1_555 1_555 yes N(31) C(36) C(35) 113.6(4) . 1_555 1_555 yes N(36) C(36) C(35) 116.7(4) . 1_555 1_555 yes N(37) C(38) N(39) 111.8(5) . 1_555 1_555 yes O(101) C(101) N(19) 107.6(4) . 1_555 1_555 yes O(101) C(101) C(102) 105.2(5) . 1_555 1_555 yes N(19) C(101) C(102) 113.6(5) . 1_555 1_555 yes O(102) C(102) C(101) 112.6(6) . 1_555 1_555 yes O(102) C(102) C(103) 113.6(6) . 1_555 1_555 yes C(101) C(102) C(103) 102.1(5) . 1_555 1_555 yes O(103) C(103) C(102) 108.2(7) . 1_555 1_555 yes O(103) C(103) C(104) 107.1(6) . 1_555 1_555 yes C(102) C(103) C(104) 102.0(6) . 1_555 1_555 yes O(101) C(104) C(103) 107.0(6) . 1_555 1_555 yes O(101) C(104) C(105) 105.0(6) . 1_555 1_555 yes C(103) C(104) C(105) 117.8(7) . 1_555 1_555 yes O(105) C(105) C(104) 111.3(10) . 1_555 1_555 yes Rh(1) C(110) C(111) 70.8(3) . 1_555 1_555 yes Rh(1) C(110) C(114) 70.6(3) . 1_555 1_555 yes Rh(1) C(110) C(115) 124.4(4) . 1_555 1_555 yes C(111) C(110) C(114) 108.4(5) . 1_555 1_555 yes C(111) C(110) C(115) 124.9(6) . 1_555 1_555 yes C(114) C(110) C(115) 126.7(6) . 1_555 1_555 yes Rh(1) C(111) C(110) 69.4(3) . 1_555 1_555 yes Rh(1) C(111) C(112) 70.3(3) . 1_555 1_555 yes Rh(1) C(111) C(116) 127.8(4) . 1_555 1_555 yes C(110) C(111) C(112) 106.9(6) . 1_555 1_555 yes C(110) C(111) C(116) 125.8(6) . 1_555 1_555 yes C(112) C(111) C(116) 127.2(7) . 1_555 1_555 yes Rh(1) C(112) C(111) 71.2(3) . 1_555 1_555 yes Rh(1) C(112) C(113) 71.2(3) . 1_555 1_555 yes Rh(1) C(112) C(117) 126.5(4) . 1_555 1_555 yes C(111) C(112) C(113) 108.6(6) . 1_555 1_555 yes C(111) C(112) C(117) 123.4(7) . 1_555 1_555 yes C(113) C(112) C(117) 127.8(6) . 1_555 1_555 yes Rh(1) C(113) C(112) 70.3(3) . 1_555 1_555 yes Rh(1) C(113) C(114) 69.4(3) . 1_555 1_555 yes Rh(1) C(113) C(118) 126.7(4) . 1_555 1_555 yes C(112) C(113) C(114) 108.0(5) . 1_555 1_555 yes C(112) C(113) C(118) 125.5(7) . 1_555 1_555 yes C(114) C(113) C(118) 126.5(7) . 1_555 1_555 yes Rh(1) C(114) C(110) 71.1(3) . 1_555 1_555 yes Rh(1) C(114) C(113) 71.3(3) . 1_555 1_555 yes Rh(1) C(114) C(119) 126.5(5) . 1_555 1_555 yes C(110) C(114) C(113) 108.0(6) . 1_555 1_555 yes C(110) C(114) C(119) 126.1(7) . 1_555 1_555 yes C(113) C(114) C(119) 125.8(7) . 1_555 1_555 yes O(201) C(201) N(29) 108.1(4) . 1_555 1_555 yes O(201) C(201) C(202) 106.3(4) . 1_555 1_555 yes N(29) C(201) C(202) 113.9(4) . 1_555 1_555 yes O(202) C(202) C(201) 105.9(5) . 1_555 1_555 yes O(202) C(202) C(203) 110.8(5) . 1_555 1_555 yes C(201) C(202) C(203) 102.6(4) . 1_555 1_555 yes O(203) C(203) C(202) 115.0(5) . 1_555 1_555 yes O(203) C(203) C(204) 109.7(5) . 1_555 1_555 yes C(202) C(203) C(204) 102.5(5) . 1_555 1_555 yes O(201) C(204) C(203) 106.3(5) . 1_555 1_555 yes O(201) C(204) C(205) 107.4(5) . 1_555 1_555 yes C(203) C(204) C(205) 112.1(5) . 1_555 1_555 yes O(205) C(205) C(204) 111.3(6) . 1_555 1_555 yes Rh(2) C(210) C(211) 70.5(3) . 1_555 1_555 yes Rh(2) C(210) C(214) 71.4(3) . 1_555 1_555 yes Rh(2) C(210) C(215) 127.5(4) . 1_555 1_555 yes C(211) C(210) C(214) 108.6(5) . 1_555 1_555 yes C(211) C(210) C(215) 125.0(6) . 1_555 1_555 yes C(214) C(210) C(215) 126.3(6) . 1_555 1_555 yes Rh(2) C(211) C(210) 70.3(3) . 1_555 1_555 yes Rh(2) C(211) C(212) 71.9(3) . 1_555 1_555 yes Rh(2) C(211) C(216) 128.2(4) . 1_555 1_555 yes C(210) C(211) C(212) 108.5(5) . 1_555 1_555 yes C(210) C(211) C(216) 124.0(5) . 1_555 1_555 yes C(212) C(211) C(216) 127.3(5) . 1_555 1_555 yes Rh(2) C(212) C(211) 69.8(3) . 1_555 1_555 yes Rh(2) C(212) C(213) 67.9(3) . 1_555 1_555 yes Rh(2) C(212) C(217) 125.7(4) . 1_555 1_555 yes C(211) C(212) C(213) 107.6(5) . 1_555 1_555 yes C(211) C(212) C(217) 126.7(6) . 1_555 1_555 yes C(213) C(212) C(217) 125.7(5) . 1_555 1_555 yes Rh(2) C(213) C(212) 73.1(3) . 1_555 1_555 yes Rh(2) C(213) C(214) 72.0(3) . 1_555 1_555 yes Rh(2) C(213) C(218) 128.4(4) . 1_555 1_555 yes C(212) C(213) C(214) 108.3(5) . 1_555 1_555 yes C(212) C(213) C(218) 126.3(6) . 1_555 1_555 yes C(214) C(213) C(218) 124.6(6) . 1_555 1_555 yes Rh(2) C(214) C(210) 70.1(3) . 1_555 1_555 yes Rh(2) C(214) C(213) 68.0(3) . 1_555 1_555 yes Rh(2) C(214) C(219) 125.4(4) . 1_555 1_555 yes C(210) C(214) C(213) 106.8(5) . 1_555 1_555 yes C(210) C(214) C(219) 125.6(6) . 1_555 1_555 yes C(213) C(214) C(219) 127.5(6) . 1_555 1_555 yes O(301) C(301) N(39) 106.8(5) . 1_555 1_555 yes O(301) C(301) C(302) 108.7(5) . 1_555 1_555 yes N(39) C(301) C(302) 113.9(5) . 1_555 1_555 yes O(302) C(302) C(301) 106.5(5) . 1_555 1_555 yes O(302) C(302) C(303) 110.2(5) . 1_555 1_555 yes C(301) C(302) C(303) 103.9(5) . 1_555 1_555 yes O(303) C(303) C(302) 115.6(5) . 1_555 1_555 yes O(303) C(303) C(304) 111.5(5) . 1_555 1_555 yes C(302) C(303) C(304) 102.4(5) . 1_555 1_555 yes O(301) C(304) C(303) 102.6(5) . 1_555 1_555 yes O(301) C(304) C(305) 110.5(7) . 1_555 1_555 yes C(303) C(304) C(305) 110.4(6) . 1_555 1_555 yes O(305) C(305) C(304) 110.2(7) . 1_555 1_555 yes Rh(3) C(310) C(311) 69.7(4) . 1_555 1_555 yes Rh(3) C(310) C(314) 71.0(4) . 1_555 1_555 yes Rh(3) C(310) C(315) 127.6(6) . 1_555 1_555 yes C(311) C(310) C(314) 107.9(6) . 1_555 1_555 yes C(311) C(310) C(315) 123.0(7) . 1_555 1_555 yes C(314) C(310) C(315) 128.9(7) . 1_555 1_555 yes Rh(3) C(311) C(310) 71.1(4) . 1_555 1_555 yes Rh(3) C(311) C(312) 70.9(4) . 1_555 1_555 yes Rh(3) C(311) C(316) 127.5(6) . 1_555 1_555 yes C(310) C(311) C(312) 108.0(6) . 1_555 1_555 yes C(310) C(311) C(316) 128.2(7) . 1_555 1_555 yes C(312) C(311) C(316) 123.6(7) . 1_555 1_555 yes Rh(3) C(312) C(311) 70.6(4) . 1_555 1_555 yes Rh(3) C(312) C(313) 71.4(4) . 1_555 1_555 yes Rh(3) C(312) C(317) 124.3(5) . 1_555 1_555 yes C(311) C(312) C(313) 108.0(6) . 1_555 1_555 yes C(311) C(312) C(317) 128.0(7) . 1_555 1_555 yes C(313) C(312) C(317) 124.1(7) . 1_555 1_555 yes Rh(3) C(313) C(312) 69.5(3) . 1_555 1_555 yes Rh(3) C(313) C(314) 70.1(3) . 1_555 1_555 yes Rh(3) C(313) C(318) 125.4(5) . 1_555 1_555 yes C(312) C(313) C(314) 106.7(6) . 1_555 1_555 yes C(312) C(313) C(318) 128.1(7) . 1_555 1_555 yes C(314) C(313) C(318) 125.2(7) . 1_555 1_555 yes Rh(3) C(314) C(310) 71.3(4) . 1_555 1_555 yes Rh(3) C(314) C(313) 71.2(3) . 1_555 1_555 yes Rh(3) C(314) C(319) 127.2(5) . 1_555 1_555 yes C(310) C(314) C(313) 109.4(6) . 1_555 1_555 yes C(310) C(314) C(319) 124.7(7) . 1_555 1_555 yes C(313) C(314) C(319) 125.7(7) . 1_555 1_555 yes S(1) C(501) F(1) 113.6(7) . 1_555 1_555 yes S(1) C(501) F(2) 109.7(7) . 1_555 1_555 yes S(1) C(501) F(3) 112.1(7) . 1_555 1_555 yes F(1) C(501) F(2) 108.3(8) . 1_555 1_555 yes F(1) C(501) F(3) 108.0(9) . 1_555 1_555 yes F(2) C(501) F(3) 104.8(8) . 1_555 1_555 yes S(2) C(502) F(4) 113.4(7) . 1_555 1_555 yes S(2) C(502) F(5) 113.4(7) . 1_555 1_555 yes S(2) C(502) F(6) 114.1(8) . 1_555 1_555 yes F(4) C(502) F(5) 104.2(10) . 1_555 1_555 yes F(4) C(502) F(6) 104.6(8) . 1_555 1_555 yes F(5) C(502) F(6) 106.2(8) . 1_555 1_555 yes S(3) C(503) S(3B) 32.8662(4) . 1_555 1_555 yes S(3) C(503) F(7) 127.3597(7) . 1_555 1_555 yes S(3) C(503) F(8) 116.6006(1) . 1_555 1_555 yes S(3) C(503) F(9) 103.4552(7) . 1_555 1_555 yes S(3B) C(503) F(7) 121.0369(9) . 1_555 1_555 yes S(3B) C(503) F(8) 129.3746(4) . 1_555 1_555 yes S(3B) C(503) F(9) 70.9156(3) . 1_555 1_555 yes F(7) C(503) F(8) 108.9481(5) . 1_555 1_555 yes F(7) C(503) F(9) 88.8178(6) . 1_555 1_555 yes F(8) C(503) F(9) 104.4 . 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) N(16) C(16) N(11) 176.8(4) 1_555 1_555 1_555 1_555 yes Rh(1) N(16) C(16) C(15) -4.6(6) 1_555 1_555 1_555 1_555 yes Rh(1) N(17) C(15) C(14) -178.7(4) 1_555 1_555 1_555 1_555 yes Rh(1) N(17) C(15) C(16) 2.2(6) 1_555 1_555 1_555 1_555 yes Rh(1) N(17) C(18) N(19) 176.7(5) 1_555 1_555 1_555 1_555 yes Rh(1) N(21) C(22) N(23) -176.8(4) 1_555 1_555 1_555 1_555 yes Rh(1) N(21) C(26) N(26) -2.2(7) 1_555 1_555 1_555 1_555 yes Rh(1) N(21) C(26) C(25) 178.4(3) 1_555 1_555 1_555 1_555 yes Rh(1) C(110) C(111) C(112) 60.6(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(110) C(111) C(116) -122.4(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(110) C(114) C(113) -62.1(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(110) C(114) C(119) 121.9(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(111) C(110) C(114) -61.0(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(111) C(110) C(115) 119.1(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(111) C(112) C(113) 61.6(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(111) C(112) C(117) -121.9(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(112) C(111) C(110) -60.0(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(112) C(111) C(116) 123.1(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(112) C(113) C(114) 59.4(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(112) C(113) C(118) -121.6(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(113) C(112) C(111) -61.7(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(113) C(112) C(117) 122.1(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(113) C(114) C(110) 62.0(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(113) C(114) C(119) -122.0(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(114) C(110) C(111) 61.1(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(114) C(110) C(115) -119.0(6) 1_555 1_555 1_555 1_555 yes Rh(1) C(114) C(113) C(112) -59.9(4) 1_555 1_555 1_555 1_555 yes Rh(1) C(114) C(113) C(118) 121.1(6) 1_555 1_555 1_555 1_555 yes Rh(2) N(26) C(26) N(21) 175.8(4) 1_555 1_555 1_555 1_555 yes Rh(2) N(26) C(26) C(25) -4.9(6) 1_555 1_555 1_555 1_555 yes Rh(2) N(27) C(25) C(24) -174.7(4) 1_555 1_555 1_555 1_555 yes Rh(2) N(27) C(25) C(26) 4.9(6) 1_555 1_555 1_555 1_555 yes Rh(2) N(27) C(28) N(29) 168.2(4) 1_555 1_555 1_555 1_555 yes Rh(2) N(31) C(32) N(33) -177.3(5) 1_555 1_555 1_555 1_555 yes Rh(2) N(31) C(36) N(36) -4.2(7) 1_555 1_555 1_555 1_555 yes Rh(2) N(31) C(36) C(35) 175.1(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(210) C(211) C(212) 62.1(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(210) C(211) C(216) -123.4(5) 1_555 1_555 1_555 1_555 yes Rh(2) C(210) C(214) C(213) -58.4(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(210) C(214) C(219) 119.9(6) 1_555 1_555 1_555 1_555 yes Rh(2) C(211) C(210) C(214) -61.6(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(211) C(210) C(215) 122.7(5) 1_555 1_555 1_555 1_555 yes Rh(2) C(211) C(212) C(213) 57.5(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(211) C(212) C(217) -120.1(5) 1_555 1_555 1_555 1_555 yes Rh(2) C(212) C(211) C(210) -61.1(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(212) C(211) C(216) 124.7(5) 1_555 1_555 1_555 1_555 yes Rh(2) C(212) C(213) C(214) 63.9(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(212) C(213) C(218) -125.5(6) 1_555 1_555 1_555 1_555 yes Rh(2) C(213) C(212) C(211) -58.7(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(213) C(212) C(217) 118.9(5) 1_555 1_555 1_555 1_555 yes Rh(2) C(213) C(214) C(210) 59.7(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(213) C(214) C(219) -118.6(6) 1_555 1_555 1_555 1_555 yes Rh(2) C(214) C(210) C(211) 61.0(3) 1_555 1_555 1_555 1_555 yes Rh(2) C(214) C(210) C(215) -123.3(5) 1_555 1_555 1_555 1_555 yes Rh(2) C(214) C(213) C(212) -64.5(4) 1_555 1_555 1_555 1_555 yes Rh(2) C(214) C(213) C(218) 124.7(6) 1_555 1_555 1_555 1_555 yes Rh(3) N(11) C(12) N(13) -176.3(5) 1_555 1_555 1_555 1_555 yes Rh(3) N(11) C(16) N(16) -6.3(8) 1_555 1_555 1_555 1_555 yes Rh(3) N(11) C(16) C(15) 175.1(3) 1_555 1_555 1_555 1_555 yes Rh(3) N(36) C(36) N(31) 179.1(4) 1_555 1_555 1_555 1_555 yes Rh(3) N(36) C(36) C(35) -0.2(6) 1_555 1_555 1_555 1_555 yes Rh(3) N(37) C(35) C(34) 179.1(4) 1_555 1_555 1_555 1_555 yes Rh(3) N(37) C(35) C(36) 1.3(6) 1_555 1_555 1_555 1_555 yes Rh(3) N(37) C(38) N(39) -179.8(5) 1_555 1_555 1_555 1_555 yes Rh(3) C(310) C(311) C(312) -61.6(5) 1_555 1_555 1_555 1_555 yes Rh(3) C(310) C(311) C(316) 123.4(8) 1_555 1_555 1_555 1_555 yes Rh(3) C(310) C(314) C(313) 61.4(4) 1_555 1_555 1_555 1_555 yes Rh(3) C(310) C(314) C(319) -122.8(6) 1_555 1_555 1_555 1_555 yes Rh(3) C(311) C(310) C(314) 61.0(5) 1_555 1_555 1_555 1_555 yes Rh(3) C(311) C(310) C(315) -122.4(7) 1_555 1_555 1_555 1_555 yes Rh(3) C(311) C(312) C(313) -61.9(4) 1_555 1_555 1_555 1_555 yes Rh(3) C(311) C(312) C(317) 118.9(7) 1_555 1_555 1_555 1_555 yes Rh(3) C(312) C(311) C(310) 61.8(5) 1_555 1_555 1_555 1_555 yes Rh(3) C(312) C(311) C(316) -123.0(8) 1_555 1_555 1_555 1_555 yes Rh(3) C(312) C(313) C(314) -60.6(4) 1_555 1_555 1_555 1_555 yes Rh(3) C(312) C(313) C(318) 119.5(7) 1_555 1_555 1_555 1_555 yes Rh(3) C(313) C(312) C(311) 61.4(5) 1_555 1_555 1_555 1_555 yes Rh(3) C(313) C(312) C(317) -119.4(7) 1_555 1_555 1_555 1_555 yes Rh(3) C(313) C(314) C(310) -61.4(5) 1_555 1_555 1_555 1_555 yes Rh(3) C(313) C(314) C(319) 122.8(7) 1_555 1_555 1_555 1_555 yes Rh(3) C(314) C(310) C(311) -60.2(5) 1_555 1_555 1_555 1_555 yes Rh(3) C(314) C(310) C(315) 123.5(8) 1_555 1_555 1_555 1_555 yes Rh(3) C(314) C(313) C(312) 60.2(4) 1_555 1_555 1_555 1_555 yes Rh(3) C(314) C(313) C(318) -119.8(7) 1_555 1_555 1_555 1_555 yes S(3) S(3B) F(9) C(503) -11.7 1_555 1_555 1_555 1_555 yes S(3) S(3B) C(503) F(7) -111.9 1_555 1_555 1_555 1_555 yes S(3) S(3B) C(503) F(8) 78.3 1_555 1_555 1_555 1_555 yes S(3) S(3B) C(503) F(9) 171.6 1_555 1_555 1_555 1_555 yes S(3) O(57) S(3B) F(9) -134.1334(6) 1_555 1_555 1_555 1_555 yes S(3) O(57) S(3B) O(58) 43.7621(6) 1_555 1_555 1_555 1_555 yes S(3) O(57) S(3B) C(503) -73.7 1_555 1_555 1_555 1_555 yes S(3) O(58) S(3B) F(9) 125.5 1_555 1_555 1_555 1_555 yes S(3) O(58) S(3B) O(57) -52.5 1_555 1_555 1_555 1_555 yes S(3) O(58) S(3B) C(503) 69.1912(5) 1_555 1_555 1_555 1_555 yes S(3) C(503) S(3B) F(9) -171.6 1_555 1_555 1_555 1_555 yes S(3) C(503) S(3B) O(57) 69.0 1_555 1_555 1_555 1_555 yes S(3) C(503) S(3B) O(58) -52.4 1_555 1_555 1_555 1_555 yes S(3) C(503) F(9) S(3B) 4.7 1_555 1_555 1_555 1_555 yes S(3B) S(3) C(503) F(7) 90.7836(5) 1_555 1_555 1_555 1_555 yes S(3B) S(3) C(503) F(8) -122.2 1_555 1_555 1_555 1_555 yes S(3B) S(3) C(503) F(9) -8.2 1_555 1_555 1_555 1_555 yes S(3B) F(9) C(503) F(7) -123.5615(8) 1_555 1_555 1_555 1_555 yes S(3B) F(9) C(503) F(8) 127.2 1_555 1_555 1_555 1_555 yes S(3B) O(57) S(3) O(58) -72.2 1_555 1_555 1_555 1_555 yes S(3B) O(57) S(3) O(59) 139.0 1_555 1_555 1_555 1_555 yes S(3B) O(57) S(3) C(503) 57.1437(7) 1_555 1_555 1_555 1_555 yes S(3B) O(58) S(3) O(57) 62.9 1_555 1_555 1_555 1_555 yes S(3B) O(58) S(3) O(59) -145.8 1_555 1_555 1_555 1_555 yes S(3B) O(58) S(3) C(503) -63.1 1_555 1_555 1_555 1_555 yes S(3B) C(503) S(3) O(57) -59.7 1_555 1_555 1_555 1_555 yes S(3B) C(503) S(3) O(58) 78.3337(5) 1_555 1_555 1_555 1_555 yes S(3B) C(503) S(3) O(59) -176.2 1_555 1_555 1_555 1_555 yes F(1) C(501) S(1) O(51) -64.3(8) 1_555 1_555 1_555 1_555 yes F(1) C(501) S(1) O(52) 58.8(8) 1_555 1_555 1_555 1_555 yes F(1) C(501) S(1) O(53) 177.3(7) 1_555 1_555 1_555 1_555 yes F(2) C(501) S(1) O(51) 57.0(7) 1_555 1_555 1_555 1_555 yes F(2) C(501) S(1) O(52) -179.9(7) 1_555 1_555 1_555 1_555 yes F(2) C(501) S(1) O(53) -61.4(8) 1_555 1_555 1_555 1_555 yes F(3) C(501) S(1) O(51) 173.0(7) 1_555 1_555 1_555 1_555 yes F(3) C(501) S(1) O(52) -63.9(8) 1_555 1_555 1_555 1_555 yes F(3) C(501) S(1) O(53) 54.6(8) 1_555 1_555 1_555 1_555 yes F(4) C(502) S(2) O(54) -178.3(8) 1_555 1_555 1_555 1_555 yes F(4) C(502) S(2) O(55) -61.3(9) 1_555 1_555 1_555 1_555 yes F(4) C(502) S(2) O(56) 58.4(8) 1_555 1_555 1_555 1_555 yes F(5) C(502) S(2) O(54) 63.0(9) 1_555 1_555 1_555 1_555 yes F(5) C(502) S(2) O(55) -179.9(8) 1_555 1_555 1_555 1_555 yes F(5) C(502) S(2) O(56) -60.2(9) 1_555 1_555 1_555 1_555 yes F(6) C(502) S(2) O(54) -58.7(8) 1_555 1_555 1_555 1_555 yes F(6) C(502) S(2) O(55) 58.3(8) 1_555 1_555 1_555 1_555 yes F(6) C(502) S(2) O(56) 178.1(7) 1_555 1_555 1_555 1_555 yes F(7) C(503) S(3) O(57) 31.1 1_555 1_555 1_555 1_555 yes F(7) C(503) S(3) O(58) 169.1 1_555 1_555 1_555 1_555 yes F(7) C(503) S(3) O(59) -85.4168(5) 1_555 1_555 1_555 1_555 yes F(7) C(503) S(3B) F(9) 76.5 1_555 1_555 1_555 1_555 yes F(7) C(503) S(3B) O(57) -43.0 1_555 1_555 1_555 1_555 yes F(7) C(503) S(3B) O(58) -164.3 1_555 1_555 1_555 1_555 yes F(8) C(503) S(3) O(57) 178.2 1_555 1_555 1_555 1_555 yes F(8) C(503) S(3) O(58) -43.8 1_555 1_555 1_555 1_555 yes F(8) C(503) S(3) O(59) 61.6 1_555 1_555 1_555 1_555 yes F(8) C(503) S(3B) F(9) -93.3 1_555 1_555 1_555 1_555 yes F(8) C(503) S(3B) O(57) 147.2 1_555 1_555 1_555 1_555 yes F(8) C(503) S(3B) O(58) 25.9 1_555 1_555 1_555 1_555 yes F(9) S(3B) S(3) O(57) 125.5889(7) 1_555 1_555 1_555 1_555 yes F(9) S(3B) S(3) O(58) -104.543(1) 1_555 1_555 1_555 1_555 yes F(9) S(3B) S(3) O(59) 15.6 1_555 1_555 1_555 1_555 yes F(9) S(3B) S(3) C(503) 9.6 1_555 1_555 1_555 1_555 yes F(9) C(503) S(3) O(57) -67.8 1_555 1_555 1_555 1_555 yes F(9) C(503) S(3) O(58) 70.1445(5) 1_555 1_555 1_555 1_555 yes F(9) C(503) S(3) O(59) 175.6 1_555 1_555 1_555 1_555 yes F(9) C(503) S(3B) O(57) -119.5 1_555 1_555 1_555 1_555 yes F(9) C(503) S(3B) O(58) 119.2 1_555 1_555 1_555 1_555 yes O(57) S(3) S(3B) O(58) -129.9 1_555 1_555 1_555 1_555 yes O(57) S(3) S(3B) C(503) 116.0369(6) 1_555 1_555 1_555 1_555 yes O(57) S(3B) S(3) O(58) 129.9 1_555 1_555 1_555 1_555 yes O(57) S(3B) S(3) O(59) -110.0102(6) 1_555 1_555 1_555 1_555 yes O(57) S(3B) S(3) C(503) -116.0369(6) 1_555 1_555 1_555 1_555 yes O(57) S(3B) F(9) C(503) 92.4637(8) 1_555 1_555 1_555 1_555 yes O(58) S(3) S(3B) C(503) -114.095(1) 1_555 1_555 1_555 1_555 yes O(58) S(3B) S(3) O(59) 120.1217(9) 1_555 1_555 1_555 1_555 yes O(58) S(3B) S(3) C(503) 114.095(1) 1_555 1_555 1_555 1_555 yes O(58) S(3B) F(9) C(503) -85.2232(8) 1_555 1_555 1_555 1_555 yes O(59) S(3) S(3B) C(503) 6.0 1_555 1_555 1_555 1_555 yes O(101) C(101) N(19) C(14) 66.9(7) 1_555 1_555 1_555 1_555 yes O(101) C(101) N(19) C(18) -112.6(5) 1_555 1_555 1_555 1_555 yes O(101) C(101) C(102) O(102) 159.9(5) 1_555 1_555 1_555 1_555 yes O(101) C(101) C(102) C(103) 37.6(6) 1_555 1_555 1_555 1_555 yes O(101) C(104) C(103) O(103) -90.6(7) 1_555 1_555 1_555 1_555 yes O(101) C(104) C(103) C(102) 23.0(7) 1_555 1_555 1_555 1_555 yes O(101) C(104) C(105) O(105) -73.1(10) 1_555 1_555 1_555 1_555 yes O(102) C(102) C(101) N(19) -82.6(6) 1_555 1_555 1_555 1_555 yes O(102) C(102) C(103) O(103) -45.0(8) 1_555 1_555 1_555 1_555 yes O(102) C(102) C(103) C(104) -157.8(6) 1_555 1_555 1_555 1_555 yes O(103) C(103) C(102) C(101) 76.5(7) 1_555 1_555 1_555 1_555 yes O(103) C(103) C(104) C(105) 151.6(8) 1_555 1_555 1_555 1_555 yes O(105) C(105) C(104) C(103) 45(1) 1_555 1_555 1_555 1_555 yes O(201) C(201) N(29) C(24) -74.3(6) 1_555 1_555 1_555 1_555 yes O(201) C(201) N(29) C(28) 102.5(5) 1_555 1_555 1_555 1_555 yes O(201) C(201) C(202) O(202) 85.5(5) 1_555 1_555 1_555 1_555 yes O(201) C(201) C(202) C(203) -30.8(5) 1_555 1_555 1_555 1_555 yes O(201) C(204) C(203) O(203) -148.8(5) 1_555 1_555 1_555 1_555 yes O(201) C(204) C(203) C(202) -26.2(6) 1_555 1_555 1_555 1_555 yes O(201) C(204) C(205) O(205) 61.9(7) 1_555 1_555 1_555 1_555 yes O(202) C(202) C(201) N(29) -155.6(4) 1_555 1_555 1_555 1_555 yes O(202) C(202) C(203) O(203) 40.6(7) 1_555 1_555 1_555 1_555 yes O(202) C(202) C(203) C(204) -78.3(6) 1_555 1_555 1_555 1_555 yes O(203) C(203) C(202) C(201) 153.3(5) 1_555 1_555 1_555 1_555 yes O(203) C(203) C(204) C(205) 94.2(6) 1_555 1_555 1_555 1_555 yes O(205) C(205) C(204) C(203) 178.3(5) 1_555 1_555 1_555 1_555 yes O(301) C(301) N(39) C(34) 75.6(7) 1_555 1_555 1_555 1_555 yes O(301) C(301) N(39) C(38) -97.6(6) 1_555 1_555 1_555 1_555 yes O(301) C(301) C(302) O(302) 108.5(5) 1_555 1_555 1_555 1_555 yes O(301) C(301) C(302) C(303) -7.9(6) 1_555 1_555 1_555 1_555 yes O(301) C(304) C(303) O(303) -159.3(5) 1_555 1_555 1_555 1_555 yes O(301) C(304) C(303) C(302) -35.1(6) 1_555 1_555 1_555 1_555 yes O(301) C(304) C(305) O(305) 71(1) 1_555 1_555 1_555 1_555 yes O(302) C(302) C(301) N(39) -132.5(5) 1_555 1_555 1_555 1_555 yes O(302) C(302) C(303) O(303) 33.8(7) 1_555 1_555 1_555 1_555 yes O(302) C(302) C(303) C(304) -87.6(6) 1_555 1_555 1_555 1_555 yes O(303) C(303) C(302) C(301) 147.6(5) 1_555 1_555 1_555 1_555 yes O(303) C(303) C(304) C(305) 82.9(8) 1_555 1_555 1_555 1_555 yes O(305) C(305) C(304) C(303) -175.9(8) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) N(36) C(36) -84.4(4) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) N(37) C(35) 90.5(3) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) N(37) C(38) -88.7(7) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(310) C(311) -143.5(4) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(310) C(314) 98.2(4) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(310) C(315) -26.8(7) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(311) C(310) 47.8(5) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(311) C(312) 165.5(3) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(311) C(316) -76.4(8) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(312) C(311) -41.4(9) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(312) C(313) 76.2(9) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(312) C(317) -164.7(7) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(313) C(312) -156.0(4) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(313) C(314) -38.5(5) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(313) C(318) 81.2(7) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(314) C(310) -88.1(4) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(314) C(313) 152.9(4) 1_555 1_555 1_555 1_555 yes N(11) Rh(3) C(314) C(319) 31.8(8) 1_555 1_555 1_555 1_555 yes N(11) C(12) N(13) C(14) 0.9(8) 1_555 1_555 1_555 1_555 yes N(11) C(16) C(15) N(17) -179.5(5) 1_555 1_555 1_555 1_555 yes N(11) C(16) C(15) C(14) 1.5(7) 1_555 1_555 1_555 1_555 yes N(13) C(12) N(11) C(16) 0.7(8) 1_555 1_555 1_555 1_555 yes N(13) C(14) N(19) C(18) 178.7(6) 1_555 1_555 1_555 1_555 yes N(13) C(14) N(19) C(101) -0.9(10) 1_555 1_555 1_555 1_555 yes N(13) C(14) C(15) N(17) -179.1(5) 1_555 1_555 1_555 1_555 yes N(13) C(14) C(15) C(16) 0.1(8) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) N(17) C(15) -3.3(3) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) N(17) C(18) 179.3(7) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) N(21) C(22) 128.3(4) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) N(21) C(26) -50.6(4) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(110) C(111) 139.6(3) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(110) C(114) -102.0(4) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(110) C(115) 19.9(6) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(111) C(110) -50.8(4) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(111) C(112) -168.5(3) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(111) C(116) 69.1(7) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(112) C(111) 29.6(8) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(112) C(113) -88.6(7) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(112) C(117) 147.7(6) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(113) C(112) 150.4(3) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(113) C(114) 31.3(5) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(113) C(118) -89.5(7) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(114) C(110) 83.8(4) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(114) C(113) -158.8(3) 1_555 1_555 1_555 1_555 yes N(16) Rh(1) C(114) C(119) -37.6(7) 1_555 1_555 1_555 1_555 yes N(16) C(16) N(11) C(12) 176.8(5) 1_555 1_555 1_555 1_555 yes N(16) C(16) C(15) N(17) 1.7(7) 1_555 1_555 1_555 1_555 yes N(16) C(16) C(15) C(14) -177.3(5) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) N(16) C(16) 4.5(4) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) N(21) C(22) 49.3(4) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) N(21) C(26) -129.6(4) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(110) C(111) -142.6(4) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(110) C(114) -24.1(6) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(110) C(115) 97.7(6) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(111) C(110) 119.0(5) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(111) C(112) 1.3(8) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(111) C(116) -121.1(6) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(112) C(111) -179.4(3) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(112) C(113) 62.4(4) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(112) C(117) -61.2(7) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(113) C(112) -128.4(3) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(113) C(114) 112.6(4) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(113) C(118) -8.2(7) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(114) C(110) 166.0(3) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(114) C(113) -76.6(4) 1_555 1_555 1_555 1_555 yes N(17) Rh(1) C(114) C(119) 44.6(7) 1_555 1_555 1_555 1_555 yes N(17) C(15) C(14) N(19) 0.9(6) 1_555 1_555 1_555 1_555 yes N(17) C(18) N(19) C(14) 1.3(6) 1_555 1_555 1_555 1_555 yes N(17) C(18) N(19) C(101) -179.0(5) 1_555 1_555 1_555 1_555 yes N(19) C(14) N(13) C(12) 178.8(6) 1_555 1_555 1_555 1_555 yes N(19) C(14) C(15) C(16) -180.0(5) 1_555 1_555 1_555 1_555 yes N(19) C(18) N(17) C(15) -0.8(6) 1_555 1_555 1_555 1_555 yes N(19) C(101) O(101) C(104) -145.2(5) 1_555 1_555 1_555 1_555 yes N(19) C(101) C(102) C(103) 155.1(5) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) N(16) C(16) -81.3(4) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) N(17) C(15) 86.5(3) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) N(17) C(18) -90.9(7) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(110) C(111) 46.9(4) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(110) C(114) 165.3(3) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(110) C(115) -72.8(6) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(111) C(110) -144.5(3) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(111) C(112) 97.8(4) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(111) C(116) -24.6(6) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(112) C(111) -88.5(4) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(112) C(113) 153.3(3) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(112) C(117) 29.7(6) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(113) C(112) -37.7(4) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(113) C(114) -156.7(3) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(113) C(118) 82.5(7) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(114) C(110) -42.5(9) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(114) C(113) 74.9(8) 1_555 1_555 1_555 1_555 yes N(21) Rh(1) C(114) C(119) -163.9(6) 1_555 1_555 1_555 1_555 yes N(21) C(22) N(23) C(24) -1.7(8) 1_555 1_555 1_555 1_555 yes N(21) C(26) C(25) N(27) 179.3(5) 1_555 1_555 1_555 1_555 yes N(21) C(26) C(25) C(24) -1.2(7) 1_555 1_555 1_555 1_555 yes N(23) C(22) N(21) C(26) 2.2(8) 1_555 1_555 1_555 1_555 yes N(23) C(24) N(29) C(28) 179.2(5) 1_555 1_555 1_555 1_555 yes N(23) C(24) N(29) C(201) -3.4(8) 1_555 1_555 1_555 1_555 yes N(23) C(24) C(25) N(27) -178.8(5) 1_555 1_555 1_555 1_555 yes N(23) C(24) C(25) C(26) 1.7(8) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) N(27) C(25) -5.1(3) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) N(27) C(28) -172.9(7) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) N(31) C(32) 131.1(4) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) N(31) C(36) -46.4(4) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(210) C(211) -171.3(3) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(210) C(214) -52.9(4) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(210) C(215) 69.0(6) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(211) C(210) 21.9(7) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(211) C(212) -96.2(6) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(211) C(216) 140.2(6) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(212) C(211) 148.4(3) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(212) C(213) 28.6(4) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(212) C(217) -90.3(6) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(213) C(212) -161.3(3) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(213) C(214) 82.3(3) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(213) C(218) -38.1(6) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(214) C(210) 137.0(3) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(214) C(213) -104.5(3) 1_555 1_555 1_555 1_555 yes N(26) Rh(2) C(214) C(219) 16.9(6) 1_555 1_555 1_555 1_555 yes N(26) C(26) N(21) C(22) 178.9(5) 1_555 1_555 1_555 1_555 yes N(26) C(26) C(25) N(27) -0.2(8) 1_555 1_555 1_555 1_555 yes N(26) C(26) C(25) C(24) 179.3(5) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) N(26) C(26) 5.7(3) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) N(31) C(32) 51.9(4) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) N(31) C(36) -125.6(4) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(210) C(211) 0.8(7) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(210) C(214) 119.2(6) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(210) C(215) -118.9(6) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(211) C(210) -179.7(3) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(211) C(212) 62.2(4) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(211) C(216) -61.4(5) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(212) C(211) -129.0(3) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(212) C(213) 111.2(3) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(212) C(217) -7.7(6) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(213) C(212) -78.2(3) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(213) C(214) 165.4(3) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(213) C(218) 45.1(6) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(214) C(210) -144.4(3) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(214) C(213) -25.9(5) 1_555 1_555 1_555 1_555 yes N(27) Rh(2) C(214) C(219) 95.4(7) 1_555 1_555 1_555 1_555 yes N(27) C(25) C(24) N(29) 1.7(6) 1_555 1_555 1_555 1_555 yes N(27) C(28) N(29) C(24) 0.6(5) 1_555 1_555 1_555 1_555 yes N(27) C(28) N(29) C(201) -176.7(4) 1_555 1_555 1_555 1_555 yes N(29) C(24) N(23) C(22) 179.2(5) 1_555 1_555 1_555 1_555 yes N(29) C(24) C(25) C(26) -177.8(5) 1_555 1_555 1_555 1_555 yes N(29) C(28) N(27) C(25) 0.5(5) 1_555 1_555 1_555 1_555 yes N(29) C(201) O(201) C(204) -107.7(5) 1_555 1_555 1_555 1_555 yes N(29) C(201) C(202) C(203) 88.2(5) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) N(26) C(26) -77.4(4) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) N(27) C(25) 86.2(3) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) N(27) C(28) -81.6(6) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(210) C(211) 93.5(3) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(210) C(214) -148.1(3) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(210) C(215) -26.2(6) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(211) C(210) -92.6(3) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(211) C(212) 149.3(3) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(211) C(216) 25.7(5) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(212) C(211) -41.3(4) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(212) C(213) -161.1(3) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(212) C(217) 79.9(6) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(213) C(212) 57.7(8) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(213) C(214) -58.6(8) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(213) C(218) -179.0(6) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(214) C(210) 42.6(4) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(214) C(213) 161.1(3) 1_555 1_555 1_555 1_555 yes N(31) Rh(2) C(214) C(219) -77.6(6) 1_555 1_555 1_555 1_555 yes N(31) C(32) N(33) C(34) 1.9(8) 1_555 1_555 1_555 1_555 yes N(31) C(36) C(35) N(37) 179.8(5) 1_555 1_555 1_555 1_555 yes N(31) C(36) C(35) C(34) 2.2(7) 1_555 1_555 1_555 1_555 yes N(33) C(32) N(31) C(36) 0.3(8) 1_555 1_555 1_555 1_555 yes N(33) C(34) N(39) C(38) 178.3(5) 1_555 1_555 1_555 1_555 yes N(33) C(34) N(39) C(301) 4.1(10) 1_555 1_555 1_555 1_555 yes N(33) C(34) C(35) N(37) -177.8(5) 1_555 1_555 1_555 1_555 yes N(33) C(34) C(35) C(36) 0.1(9) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) N(11) C(12) 133.6(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) N(11) C(16) -43.2(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) N(37) C(35) -1.0(3) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) N(37) C(38) 179.8(7) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(310) C(311) -47.6(5) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(310) C(314) -165.9(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(310) C(315) 69.0(8) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(311) C(310) 142.3(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(311) C(312) -100.1(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(311) C(316) 18.1(7) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(312) C(311) 85.2(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(312) C(313) -157.2(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(312) C(317) -38.1(7) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(313) C(312) 32.8(5) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(313) C(314) 150.2(4) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(313) C(318) -90.1(7) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(314) C(310) 34.8(8) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(314) C(313) -84.2(7) 1_555 1_555 1_555 1_555 yes N(36) Rh(3) C(314) C(319) 154.6(7) 1_555 1_555 1_555 1_555 yes N(36) C(36) N(31) C(32) 178.3(5) 1_555 1_555 1_555 1_555 yes N(36) C(36) C(35) N(37) -0.8(8) 1_555 1_555 1_555 1_555 yes N(36) C(36) C(35) C(34) -178.4(5) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) N(11) C(12) 54.6(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) N(11) C(16) -122.3(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) N(36) C(36) 0.7(3) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(310) C(311) 121.3(6) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(310) C(314) 3.0(8) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(310) C(315) -122.0(7) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(311) C(310) -140.3(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(311) C(312) -22.6(6) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(311) C(316) 95.6(8) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(312) C(311) 167.2(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(312) C(313) -75.1(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(312) C(317) 43.9(7) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(313) C(312) 114.1(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(313) C(314) -128.4(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(313) C(318) -8.7(7) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(314) C(310) -178.6(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(314) C(313) 62.4(4) 1_555 1_555 1_555 1_555 yes N(37) Rh(3) C(314) C(319) -58.8(8) 1_555 1_555 1_555 1_555 yes N(37) C(35) C(34) N(39) 1.1(6) 1_555 1_555 1_555 1_555 yes N(37) C(38) N(39) C(34) -0.4(6) 1_555 1_555 1_555 1_555 yes N(37) C(38) N(39) C(301) 174.3(5) 1_555 1_555 1_555 1_555 yes N(39) C(34) N(33) C(32) 179.4(6) 1_555 1_555 1_555 1_555 yes N(39) C(34) C(35) C(36) 178.9(5) 1_555 1_555 1_555 1_555 yes N(39) C(38) N(37) C(35) 1.0(6) 1_555 1_555 1_555 1_555 yes N(39) C(301) O(301) C(304) -138.9(5) 1_555 1_555 1_555 1_555 yes N(39) C(301) C(302) C(303) 111.1(6) 1_555 1_555 1_555 1_555 yes C(12) N(11) Rh(3) C(310) -101.6(4) 1_555 1_555 1_555 1_555 yes C(12) N(11) Rh(3) C(311) -129.8(4) 1_555 1_555 1_555 1_555 yes C(12) N(11) Rh(3) C(312) -98.6(8) 1_555 1_555 1_555 1_555 yes C(12) N(11) Rh(3) C(313) -40.2(5) 1_555 1_555 1_555 1_555 yes C(12) N(11) Rh(3) C(314) -63.6(4) 1_555 1_555 1_555 1_555 yes C(12) N(11) C(16) C(15) -1.7(6) 1_555 1_555 1_555 1_555 yes C(12) N(13) C(14) C(15) -1.2(8) 1_555 1_555 1_555 1_555 yes C(14) N(19) C(101) C(102) -49.2(8) 1_555 1_555 1_555 1_555 yes C(14) C(15) N(17) C(18) -0.1(6) 1_555 1_555 1_555 1_555 yes C(15) N(17) Rh(1) C(110) -86.0(5) 1_555 1_555 1_555 1_555 yes C(15) N(17) Rh(1) C(111) -174.6(5) 1_555 1_555 1_555 1_555 yes C(15) N(17) Rh(1) C(112) -173.7(3) 1_555 1_555 1_555 1_555 yes C(15) N(17) Rh(1) C(113) -139.9(4) 1_555 1_555 1_555 1_555 yes C(15) N(17) Rh(1) C(114) -101.6(4) 1_555 1_555 1_555 1_555 yes C(15) C(14) N(19) C(18) -1.3(6) 1_555 1_555 1_555 1_555 yes C(15) C(14) N(19) C(101) 179.1(5) 1_555 1_555 1_555 1_555 yes C(16) N(11) Rh(3) C(310) 81.6(4) 1_555 1_555 1_555 1_555 yes C(16) N(11) Rh(3) C(311) 53.4(5) 1_555 1_555 1_555 1_555 yes C(16) N(11) Rh(3) C(312) 84.5(8) 1_555 1_555 1_555 1_555 yes C(16) N(11) Rh(3) C(313) 142.9(4) 1_555 1_555 1_555 1_555 yes C(16) N(11) Rh(3) C(314) 119.6(4) 1_555 1_555 1_555 1_555 yes C(16) N(16) Rh(1) C(110) 150.7(4) 1_555 1_555 1_555 1_555 yes C(16) N(16) Rh(1) C(111) -179.5(4) 1_555 1_555 1_555 1_555 yes C(16) N(16) Rh(1) C(112) 158.9(6) 1_555 1_555 1_555 1_555 yes C(16) N(16) Rh(1) C(113) 92.9(4) 1_555 1_555 1_555 1_555 yes C(16) N(16) Rh(1) C(114) 112.5(4) 1_555 1_555 1_555 1_555 yes C(16) C(15) N(17) C(18) -179.2(5) 1_555 1_555 1_555 1_555 yes C(18) N(17) Rh(1) C(110) 96.5(7) 1_555 1_555 1_555 1_555 yes C(18) N(17) Rh(1) C(111) 7(1) 1_555 1_555 1_555 1_555 yes C(18) N(17) Rh(1) C(112) 8.9(8) 1_555 1_555 1_555 1_555 yes C(18) N(17) Rh(1) C(113) 42.7(7) 1_555 1_555 1_555 1_555 yes C(18) N(17) Rh(1) C(114) 80.9(7) 1_555 1_555 1_555 1_555 yes C(18) N(19) C(101) C(102) 131.3(6) 1_555 1_555 1_555 1_555 yes C(22) N(21) Rh(1) C(110) -136.0(4) 1_555 1_555 1_555 1_555 yes C(22) N(21) Rh(1) C(111) -107.9(4) 1_555 1_555 1_555 1_555 yes C(22) N(21) Rh(1) C(112) -69.0(4) 1_555 1_555 1_555 1_555 yes C(22) N(21) Rh(1) C(113) -46.2(5) 1_555 1_555 1_555 1_555 yes C(22) N(21) Rh(1) C(114) -103.9(7) 1_555 1_555 1_555 1_555 yes C(22) N(21) C(26) C(25) -0.5(6) 1_555 1_555 1_555 1_555 yes C(22) N(23) C(24) C(25) -0.2(7) 1_555 1_555 1_555 1_555 yes C(24) N(29) C(201) C(202) 167.7(5) 1_555 1_555 1_555 1_555 yes C(24) C(25) N(27) C(28) -1.4(6) 1_555 1_555 1_555 1_555 yes C(25) N(27) Rh(2) C(210) -178.4(5) 1_555 1_555 1_555 1_555 yes C(25) N(27) Rh(2) C(211) -177.8(3) 1_555 1_555 1_555 1_555 yes C(25) N(27) Rh(2) C(212) -144.2(3) 1_555 1_555 1_555 1_555 yes C(25) N(27) Rh(2) C(213) -105.7(3) 1_555 1_555 1_555 1_555 yes C(25) N(27) Rh(2) C(214) -88.4(5) 1_555 1_555 1_555 1_555 yes C(25) C(24) N(29) C(28) -1.4(5) 1_555 1_555 1_555 1_555 yes C(25) C(24) N(29) C(201) 176.0(4) 1_555 1_555 1_555 1_555 yes C(26) N(21) Rh(1) C(110) 45.1(5) 1_555 1_555 1_555 1_555 yes C(26) N(21) Rh(1) C(111) 73.2(4) 1_555 1_555 1_555 1_555 yes C(26) N(21) Rh(1) C(112) 112.1(4) 1_555 1_555 1_555 1_555 yes C(26) N(21) Rh(1) C(113) 134.8(4) 1_555 1_555 1_555 1_555 yes C(26) N(21) Rh(1) C(114) 77.2(8) 1_555 1_555 1_555 1_555 yes C(26) N(26) Rh(2) C(210) -177.2(3) 1_555 1_555 1_555 1_555 yes C(26) N(26) Rh(2) C(211) 166.7(5) 1_555 1_555 1_555 1_555 yes C(26) N(26) Rh(2) C(212) 95.2(4) 1_555 1_555 1_555 1_555 yes C(26) N(26) Rh(2) C(213) 113.2(4) 1_555 1_555 1_555 1_555 yes C(26) N(26) Rh(2) C(214) 152.9(4) 1_555 1_555 1_555 1_555 yes C(26) C(25) N(27) C(28) 178.2(5) 1_555 1_555 1_555 1_555 yes C(28) N(27) Rh(2) C(210) 13.9(10) 1_555 1_555 1_555 1_555 yes C(28) N(27) Rh(2) C(211) 14.5(7) 1_555 1_555 1_555 1_555 yes C(28) N(27) Rh(2) C(212) 48.1(7) 1_555 1_555 1_555 1_555 yes C(28) N(27) Rh(2) C(213) 86.5(7) 1_555 1_555 1_555 1_555 yes C(28) N(27) Rh(2) C(214) 103.8(7) 1_555 1_555 1_555 1_555 yes C(28) N(29) C(201) C(202) -15.5(7) 1_555 1_555 1_555 1_555 yes C(32) N(31) Rh(2) C(210) -106.7(4) 1_555 1_555 1_555 1_555 yes C(32) N(31) Rh(2) C(211) -67.0(4) 1_555 1_555 1_555 1_555 yes C(32) N(31) Rh(2) C(212) -42.6(4) 1_555 1_555 1_555 1_555 yes C(32) N(31) Rh(2) C(213) -86.7(8) 1_555 1_555 1_555 1_555 yes C(32) N(31) Rh(2) C(214) -131.9(4) 1_555 1_555 1_555 1_555 yes C(32) N(31) C(36) C(35) -2.4(6) 1_555 1_555 1_555 1_555 yes C(32) N(33) C(34) C(35) -2.0(7) 1_555 1_555 1_555 1_555 yes C(34) N(39) C(301) C(302) -44.4(9) 1_555 1_555 1_555 1_555 yes C(34) C(35) N(37) C(38) -1.3(6) 1_555 1_555 1_555 1_555 yes C(35) N(37) Rh(3) C(310) -171.7(6) 1_555 1_555 1_555 1_555 yes C(35) N(37) Rh(3) C(311) -83.0(5) 1_555 1_555 1_555 1_555 yes C(35) N(37) Rh(3) C(312) -97.8(4) 1_555 1_555 1_555 1_555 yes C(35) N(37) Rh(3) C(313) -135.7(4) 1_555 1_555 1_555 1_555 yes C(35) N(37) Rh(3) C(314) -169.6(3) 1_555 1_555 1_555 1_555 yes C(35) C(34) N(39) C(38) -0.5(6) 1_555 1_555 1_555 1_555 yes C(35) C(34) N(39) C(301) -174.7(6) 1_555 1_555 1_555 1_555 yes C(36) N(31) Rh(2) C(210) 75.8(4) 1_555 1_555 1_555 1_555 yes C(36) N(31) Rh(2) C(211) 115.5(4) 1_555 1_555 1_555 1_555 yes C(36) N(31) Rh(2) C(212) 139.9(4) 1_555 1_555 1_555 1_555 yes C(36) N(31) Rh(2) C(213) 95.8(8) 1_555 1_555 1_555 1_555 yes C(36) N(31) Rh(2) C(214) 50.6(4) 1_555 1_555 1_555 1_555 yes C(36) N(36) Rh(3) C(310) 176.2(4) 1_555 1_555 1_555 1_555 yes C(36) N(36) Rh(3) C(311) 148.2(4) 1_555 1_555 1_555 1_555 yes C(36) N(36) Rh(3) C(312) 109.7(4) 1_555 1_555 1_555 1_555 yes C(36) N(36) Rh(3) C(313) 89.4(4) 1_555 1_555 1_555 1_555 yes C(36) N(36) Rh(3) C(314) 151.2(6) 1_555 1_555 1_555 1_555 yes C(36) C(35) N(37) C(38) -179.1(5) 1_555 1_555 1_555 1_555 yes C(38) N(37) Rh(3) C(310) 9(1) 1_555 1_555 1_555 1_555 yes C(38) N(37) Rh(3) C(311) 97.8(8) 1_555 1_555 1_555 1_555 yes C(38) N(37) Rh(3) C(312) 83.0(8) 1_555 1_555 1_555 1_555 yes C(38) N(37) Rh(3) C(313) 45.1(8) 1_555 1_555 1_555 1_555 yes C(38) N(37) Rh(3) C(314) 11.2(8) 1_555 1_555 1_555 1_555 yes C(38) N(39) C(301) C(302) 142.3(6) 1_555 1_555 1_555 1_555 yes C(101) O(101) C(104) C(103) 0.1(7) 1_555 1_555 1_555 1_555 yes C(101) O(101) C(104) C(105) 126.0(6) 1_555 1_555 1_555 1_555 yes C(101) C(102) C(103) C(104) -36.3(7) 1_555 1_555 1_555 1_555 yes C(102) C(101) O(101) C(104) -23.7(6) 1_555 1_555 1_555 1_555 yes C(102) C(103) C(104) C(105) -94.8(8) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(111) C(112) -117.7(5) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(111) C(116) 119.9(7) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(112) C(111) 38.5(4) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(112) C(113) -79.7(4) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(112) C(117) 156.7(7) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(113) C(112) 81.6(4) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(113) C(114) -37.4(4) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(113) C(118) -158.2(8) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(114) C(113) 117.5(5) 1_555 1_555 1_555 1_555 yes C(110) Rh(1) C(114) C(119) -121.4(8) 1_555 1_555 1_555 1_555 yes C(110) C(111) Rh(1) C(112) 117.7(5) 1_555 1_555 1_555 1_555 yes C(110) C(111) Rh(1) C(113) 80.2(4) 1_555 1_555 1_555 1_555 yes C(110) C(111) Rh(1) C(114) 36.8(3) 1_555 1_555 1_555 1_555 yes C(110) C(111) C(112) C(113) 1.6(6) 1_555 1_555 1_555 1_555 yes C(110) C(111) C(112) C(117) 178.1(6) 1_555 1_555 1_555 1_555 yes C(110) C(114) Rh(1) C(111) -38.2(4) 1_555 1_555 1_555 1_555 yes C(110) C(114) Rh(1) C(112) -80.7(4) 1_555 1_555 1_555 1_555 yes C(110) C(114) Rh(1) C(113) -117.5(5) 1_555 1_555 1_555 1_555 yes C(110) C(114) C(113) C(112) 2.0(6) 1_555 1_555 1_555 1_555 yes C(110) C(114) C(113) C(118) -176.9(6) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(110) C(114) 118.4(5) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(110) C(115) -119.7(7) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(112) C(113) -118.2(5) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(112) C(117) 118.2(8) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(113) C(112) 37.4(4) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(113) C(114) -81.6(4) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(113) C(118) 157.6(8) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(114) C(113) 79.3(4) 1_555 1_555 1_555 1_555 yes C(111) Rh(1) C(114) C(119) -159.5(8) 1_555 1_555 1_555 1_555 yes C(111) C(110) Rh(1) C(112) -37.4(3) 1_555 1_555 1_555 1_555 yes C(111) C(110) Rh(1) C(113) -80.1(4) 1_555 1_555 1_555 1_555 yes C(111) C(110) Rh(1) C(114) -118.4(5) 1_555 1_555 1_555 1_555 yes C(111) C(110) C(114) C(113) -1.0(6) 1_555 1_555 1_555 1_555 yes C(111) C(110) C(114) C(119) -177.0(6) 1_555 1_555 1_555 1_555 yes C(111) C(112) Rh(1) C(113) 118.2(5) 1_555 1_555 1_555 1_555 yes C(111) C(112) Rh(1) C(114) 80.8(4) 1_555 1_555 1_555 1_555 yes C(111) C(112) C(113) C(114) -2.3(6) 1_555 1_555 1_555 1_555 yes C(111) C(112) C(113) C(118) 176.7(6) 1_555 1_555 1_555 1_555 yes C(112) Rh(1) C(110) C(114) 81.1(4) 1_555 1_555 1_555 1_555 yes C(112) Rh(1) C(110) C(115) -157.1(7) 1_555 1_555 1_555 1_555 yes C(112) Rh(1) C(111) C(116) -122.4(8) 1_555 1_555 1_555 1_555 yes C(112) Rh(1) C(113) C(114) -119.1(5) 1_555 1_555 1_555 1_555 yes C(112) Rh(1) C(113) C(118) 120.1(8) 1_555 1_555 1_555 1_555 yes C(112) Rh(1) C(114) C(113) 36.8(4) 1_555 1_555 1_555 1_555 yes C(112) Rh(1) C(114) C(119) 157.9(8) 1_555 1_555 1_555 1_555 yes C(112) C(111) Rh(1) C(113) -37.4(4) 1_555 1_555 1_555 1_555 yes C(112) C(111) Rh(1) C(114) -80.9(4) 1_555 1_555 1_555 1_555 yes C(112) C(111) C(110) C(114) -0.3(6) 1_555 1_555 1_555 1_555 yes C(112) C(111) C(110) C(115) 179.8(6) 1_555 1_555 1_555 1_555 yes C(112) C(113) Rh(1) C(114) 119.1(5) 1_555 1_555 1_555 1_555 yes C(112) C(113) C(114) C(119) 178.1(6) 1_555 1_555 1_555 1_555 yes C(113) Rh(1) C(110) C(114) 38.4(4) 1_555 1_555 1_555 1_555 yes C(113) Rh(1) C(110) C(115) 160.2(7) 1_555 1_555 1_555 1_555 yes C(113) Rh(1) C(111) C(116) -159.8(7) 1_555 1_555 1_555 1_555 yes C(113) Rh(1) C(112) C(117) -123.6(8) 1_555 1_555 1_555 1_555 yes C(113) Rh(1) C(114) C(119) 121.2(8) 1_555 1_555 1_555 1_555 yes C(113) C(112) Rh(1) C(114) -37.4(4) 1_555 1_555 1_555 1_555 yes C(113) C(112) C(111) C(116) -175.3(6) 1_555 1_555 1_555 1_555 yes C(113) C(114) C(110) C(115) 178.9(6) 1_555 1_555 1_555 1_555 yes C(114) Rh(1) C(110) C(115) 121.8(7) 1_555 1_555 1_555 1_555 yes C(114) Rh(1) C(111) C(116) 156.7(7) 1_555 1_555 1_555 1_555 yes C(114) Rh(1) C(112) C(117) -161.0(7) 1_555 1_555 1_555 1_555 yes C(114) Rh(1) C(113) C(118) -120.8(9) 1_555 1_555 1_555 1_555 yes C(114) C(110) C(111) C(116) 176.6(6) 1_555 1_555 1_555 1_555 yes C(114) C(113) C(112) C(117) -178.5(6) 1_555 1_555 1_555 1_555 yes C(115) C(110) C(111) C(116) -3.3(10) 1_555 1_555 1_555 1_555 yes C(115) C(110) C(114) C(119) 2.9(10) 1_555 1_555 1_555 1_555 yes C(116) C(111) C(112) C(117) 1.2(10) 1_555 1_555 1_555 1_555 yes C(117) C(112) C(113) C(118) 0.5(10) 1_555 1_555 1_555 1_555 yes C(118) C(113) C(114) C(119) -0.9(9) 1_555 1_555 1_555 1_555 yes C(201) O(201) C(204) C(203) 7.6(6) 1_555 1_555 1_555 1_555 yes C(201) O(201) C(204) C(205) 127.8(5) 1_555 1_555 1_555 1_555 yes C(201) C(202) C(203) C(204) 34.3(5) 1_555 1_555 1_555 1_555 yes C(202) C(201) O(201) C(204) 14.9(5) 1_555 1_555 1_555 1_555 yes C(202) C(203) C(204) C(205) -143.3(5) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(211) C(212) -118.1(5) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(211) C(216) 118.3(6) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(212) C(211) 38.0(3) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(212) C(213) -81.8(4) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(212) C(217) 159.3(6) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(213) C(212) 79.6(3) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(213) C(214) -36.8(3) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(213) C(218) -157.2(7) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(214) C(213) 118.5(5) 1_555 1_555 1_555 1_555 yes C(210) Rh(2) C(214) C(219) -120.2(8) 1_555 1_555 1_555 1_555 yes C(210) C(211) Rh(2) C(212) 118.1(5) 1_555 1_555 1_555 1_555 yes C(210) C(211) Rh(2) C(213) 81.2(4) 1_555 1_555 1_555 1_555 yes C(210) C(211) Rh(2) C(214) 37.1(3) 1_555 1_555 1_555 1_555 yes C(210) C(211) C(212) C(213) -3.6(5) 1_555 1_555 1_555 1_555 yes C(210) C(211) C(212) C(217) 178.9(5) 1_555 1_555 1_555 1_555 yes C(210) C(214) Rh(2) C(211) -37.8(3) 1_555 1_555 1_555 1_555 yes C(210) C(214) Rh(2) C(212) -80.2(3) 1_555 1_555 1_555 1_555 yes C(210) C(214) Rh(2) C(213) -118.5(5) 1_555 1_555 1_555 1_555 yes C(210) C(214) C(213) C(212) -4.8(6) 1_555 1_555 1_555 1_555 yes C(210) C(214) C(213) C(218) -175.6(5) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(210) C(214) 118.4(5) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(210) C(215) -119.7(7) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(212) C(213) -119.8(4) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(212) C(217) 121.3(7) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(213) C(212) 36.3(3) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(213) C(214) -80.1(3) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(213) C(218) 159.5(7) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(214) C(213) 80.7(3) 1_555 1_555 1_555 1_555 yes C(211) Rh(2) C(214) C(219) -158.0(7) 1_555 1_555 1_555 1_555 yes C(211) C(210) Rh(2) C(212) -37.1(3) 1_555 1_555 1_555 1_555 yes C(211) C(210) Rh(2) C(213) -80.2(4) 1_555 1_555 1_555 1_555 yes C(211) C(210) Rh(2) C(214) -118.4(5) 1_555 1_555 1_555 1_555 yes C(211) C(210) C(214) C(213) 2.6(6) 1_555 1_555 1_555 1_555 yes C(211) C(210) C(214) C(219) -179.1(5) 1_555 1_555 1_555 1_555 yes C(211) C(212) Rh(2) C(213) 119.8(4) 1_555 1_555 1_555 1_555 yes C(211) C(212) Rh(2) C(214) 80.6(3) 1_555 1_555 1_555 1_555 yes C(211) C(212) C(213) C(214) 5.2(6) 1_555 1_555 1_555 1_555 yes C(211) C(212) C(213) C(218) 175.8(5) 1_555 1_555 1_555 1_555 yes C(212) Rh(2) C(210) C(214) 81.3(4) 1_555 1_555 1_555 1_555 yes C(212) Rh(2) C(210) C(215) -156.8(7) 1_555 1_555 1_555 1_555 yes C(212) Rh(2) C(211) C(216) -123.6(6) 1_555 1_555 1_555 1_555 yes C(212) Rh(2) C(213) C(214) -116.4(4) 1_555 1_555 1_555 1_555 yes C(212) Rh(2) C(213) C(218) 123.2(7) 1_555 1_555 1_555 1_555 yes C(212) Rh(2) C(214) C(213) 38.3(3) 1_555 1_555 1_555 1_555 yes C(212) Rh(2) C(214) C(219) 159.7(7) 1_555 1_555 1_555 1_555 yes C(212) C(211) Rh(2) C(213) -36.9(3) 1_555 1_555 1_555 1_555 yes C(212) C(211) Rh(2) C(214) -81.1(4) 1_555 1_555 1_555 1_555 yes C(212) C(211) C(210) C(214) 0.6(5) 1_555 1_555 1_555 1_555 yes C(212) C(211) C(210) C(215) -175.2(5) 1_555 1_555 1_555 1_555 yes C(212) C(213) Rh(2) C(214) 116.4(4) 1_555 1_555 1_555 1_555 yes C(212) C(213) C(214) C(219) 176.9(5) 1_555 1_555 1_555 1_555 yes C(213) Rh(2) C(210) C(214) 38.2(4) 1_555 1_555 1_555 1_555 yes C(213) Rh(2) C(210) C(215) 160.1(6) 1_555 1_555 1_555 1_555 yes C(213) Rh(2) C(211) C(216) -160.5(6) 1_555 1_555 1_555 1_555 yes C(213) Rh(2) C(212) C(217) -119.0(7) 1_555 1_555 1_555 1_555 yes C(213) Rh(2) C(214) C(219) 121.3(7) 1_555 1_555 1_555 1_555 yes C(213) C(212) Rh(2) C(214) -39.2(3) 1_555 1_555 1_555 1_555 yes C(213) C(212) C(211) C(216) -177.8(5) 1_555 1_555 1_555 1_555 yes C(213) C(214) C(210) C(215) 178.3(5) 1_555 1_555 1_555 1_555 yes C(214) Rh(2) C(210) C(215) 121.9(7) 1_555 1_555 1_555 1_555 yes C(214) Rh(2) C(211) C(216) 155.3(6) 1_555 1_555 1_555 1_555 yes C(214) Rh(2) C(212) C(217) -158.2(6) 1_555 1_555 1_555 1_555 yes C(214) Rh(2) C(213) C(218) -120.4(7) 1_555 1_555 1_555 1_555 yes C(214) C(210) C(211) C(216) 175.0(5) 1_555 1_555 1_555 1_555 yes C(214) C(213) C(212) C(217) -177.2(5) 1_555 1_555 1_555 1_555 yes C(215) C(210) C(211) C(216) -0.7(8) 1_555 1_555 1_555 1_555 yes C(215) C(210) C(214) C(219) -3.4(9) 1_555 1_555 1_555 1_555 yes C(216) C(211) C(212) C(217) 4.6(8) 1_555 1_555 1_555 1_555 yes C(217) C(212) C(213) C(218) -6.6(9) 1_555 1_555 1_555 1_555 yes C(218) C(213) C(214) C(219) 6.1(9) 1_555 1_555 1_555 1_555 yes C(301) O(301) C(304) C(303) 32.0(6) 1_555 1_555 1_555 1_555 yes C(301) O(301) C(304) C(305) 149.7(6) 1_555 1_555 1_555 1_555 yes C(301) C(302) C(303) C(304) 26.2(6) 1_555 1_555 1_555 1_555 yes C(302) C(301) O(301) C(304) -15.5(6) 1_555 1_555 1_555 1_555 yes C(302) C(303) C(304) C(305) -152.9(7) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(311) C(312) 117.7(5) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(311) C(316) -124.2(9) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(312) C(311) -38.2(4) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(312) C(313) 79.5(4) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(312) C(317) -161.4(8) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(313) C(312) -81.1(4) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(313) C(314) 36.4(4) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(313) C(318) 156.0(7) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(314) C(313) -119.0(6) 1_555 1_555 1_555 1_555 yes C(310) Rh(3) C(314) C(319) 119.9(9) 1_555 1_555 1_555 1_555 yes C(310) C(311) Rh(3) C(312) -117.7(5) 1_555 1_555 1_555 1_555 yes C(310) C(311) Rh(3) C(313) -79.5(4) 1_555 1_555 1_555 1_555 yes C(310) C(311) Rh(3) C(314) -36.6(4) 1_555 1_555 1_555 1_555 yes C(310) C(311) C(312) C(313) -0.2(7) 1_555 1_555 1_555 1_555 yes C(310) C(311) C(312) C(317) -179.3(7) 1_555 1_555 1_555 1_555 yes C(310) C(314) Rh(3) C(311) 38.0(4) 1_555 1_555 1_555 1_555 yes C(310) C(314) Rh(3) C(312) 80.8(5) 1_555 1_555 1_555 1_555 yes C(310) C(314) Rh(3) C(313) 119.0(6) 1_555 1_555 1_555 1_555 yes C(310) C(314) C(313) C(312) -1.3(7) 1_555 1_555 1_555 1_555 yes C(310) C(314) C(313) C(318) 178.7(7) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(310) C(314) -118.3(6) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(310) C(315) 116.6(8) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(312) C(313) 117.7(5) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(312) C(317) -123.3(8) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(313) C(312) -37.6(4) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(313) C(314) 79.9(4) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(313) C(318) -160.4(7) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(314) C(313) -81.0(4) 1_555 1_555 1_555 1_555 yes C(311) Rh(3) C(314) C(319) 157.9(8) 1_555 1_555 1_555 1_555 yes C(311) C(310) Rh(3) C(312) 37.5(4) 1_555 1_555 1_555 1_555 yes C(311) C(310) Rh(3) C(313) 81.0(4) 1_555 1_555 1_555 1_555 yes C(311) C(310) Rh(3) C(314) 118.3(6) 1_555 1_555 1_555 1_555 yes C(311) C(310) C(314) C(313) 1.2(8) 1_555 1_555 1_555 1_555 yes C(311) C(310) C(314) C(319) 176.9(6) 1_555 1_555 1_555 1_555 yes C(311) C(312) Rh(3) C(313) -117.7(5) 1_555 1_555 1_555 1_555 yes C(311) C(312) Rh(3) C(314) -79.9(4) 1_555 1_555 1_555 1_555 yes C(311) C(312) C(313) C(314) 0.9(7) 1_555 1_555 1_555 1_555 yes C(311) C(312) C(313) C(318) -179.1(7) 1_555 1_555 1_555 1_555 yes C(312) Rh(3) C(310) C(314) -80.8(4) 1_555 1_555 1_555 1_555 yes C(312) Rh(3) C(310) C(315) 154.2(8) 1_555 1_555 1_555 1_555 yes C(312) Rh(3) C(311) C(316) 118.2(9) 1_555 1_555 1_555 1_555 yes C(312) Rh(3) C(313) C(314) 117.5(6) 1_555 1_555 1_555 1_555 yes C(312) Rh(3) C(313) C(318) -122.9(8) 1_555 1_555 1_555 1_555 yes C(312) Rh(3) C(314) C(313) -38.2(4) 1_555 1_555 1_555 1_555 yes C(312) Rh(3) C(314) C(319) -159.3(8) 1_555 1_555 1_555 1_555 yes C(312) C(311) Rh(3) C(313) 38.1(4) 1_555 1_555 1_555 1_555 yes C(312) C(311) Rh(3) C(314) 81.1(4) 1_555 1_555 1_555 1_555 yes C(312) C(311) C(310) C(314) -0.6(8) 1_555 1_555 1_555 1_555 yes C(312) C(311) C(310) C(315) 175.9(7) 1_555 1_555 1_555 1_555 yes C(312) C(313) Rh(3) C(314) -117.5(6) 1_555 1_555 1_555 1_555 yes C(312) C(313) C(314) C(319) -177.0(6) 1_555 1_555 1_555 1_555 yes C(313) Rh(3) C(310) C(314) -37.3(4) 1_555 1_555 1_555 1_555 yes C(313) Rh(3) C(310) C(315) -162.3(8) 1_555 1_555 1_555 1_555 yes C(313) Rh(3) C(311) C(316) 156.3(8) 1_555 1_555 1_555 1_555 yes C(313) Rh(3) C(312) C(317) 119.1(9) 1_555 1_555 1_555 1_555 yes C(313) Rh(3) C(314) C(319) -121.1(9) 1_555 1_555 1_555 1_555 yes C(313) C(312) Rh(3) C(314) 37.7(4) 1_555 1_555 1_555 1_555 yes C(313) C(312) C(311) C(316) 175.1(7) 1_555 1_555 1_555 1_555 yes C(313) C(314) C(310) C(315) -175.1(7) 1_555 1_555 1_555 1_555 yes C(314) Rh(3) C(310) C(315) -125.0(9) 1_555 1_555 1_555 1_555 yes C(314) Rh(3) C(311) C(316) -160.8(8) 1_555 1_555 1_555 1_555 yes C(314) Rh(3) C(312) C(317) 156.8(8) 1_555 1_555 1_555 1_555 yes C(314) Rh(3) C(313) C(318) 119.7(8) 1_555 1_555 1_555 1_555 yes C(314) C(310) C(311) C(316) -175.6(8) 1_555 1_555 1_555 1_555 yes C(314) C(313) C(312) C(317) -179.9(6) 1_555 1_555 1_555 1_555 yes C(315) C(310) C(311) C(316) 0(1) 1_555 1_555 1_555 1_555 yes C(315) C(310) C(314) C(319) 0(1) 1_555 1_555 1_555 1_555 yes C(316) C(311) C(312) C(317) -4(1) 1_555 1_555 1_555 1_555 yes C(317) C(312) C(313) C(318) 0(1) 1_555 1_555 1_555 1_555 yes C(318) C(313) C(314) C(319) 2(1) 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(216) 3.54(1) . 2_564 ? F(1) F(8) 3.574(8) . 2_565 ? F(3) O(503) 3.50(2) . 2_564 ? F(4) C(218) 3.309(10) . 2_564 ? F(5) O(504) 3.38(3) . 2_664 ? F(6) O(502) 3.43(3) . 2_564 ? F(7) C(315) 3.562(9) . 3_555 ? F(8) C(117) 3.321(9) . 2_564 ? F(8) C(216) 3.401(6) . 1_554 ? F(9) C(25) 3.356(5) . 2_564 ? F(9) C(24) 3.529(5) . 2_564 ? F(9) C(116) 3.538(8) . 2_564 ? F(9) C(26) 3.552(5) . 2_564 ? O(51) C(28) 3.061(7) . 2_564 ? O(51) C(32) 3.400(7) . 2_564 ? O(51) C(217) 3.454(9) . 2_564 ? O(51) C(216) 3.508(8) . 2_564 ? O(53) O(203) 2.926(9) . 2_564 ? O(53) C(38) 2.994(9) . 3_455 ? O(53) C(301) 3.168(9) . 3_455 ? O(53) C(203) 3.253(10) . 2_564 ? O(53) O(301) 3.433(8) . 3_455 ? O(53) N(39) 3.461(8) . 3_455 ? O(54) O(503) 3.40(2) . 2_664 ? O(54) C(317) 3.59(1) . 4_655 ? O(56) C(12) 3.126(9) . 3_555 ? O(56) C(14) 3.132(9) . 3_555 ? O(56) N(13) 3.142(9) . 3_555 ? O(56) C(15) 3.196(9) . 3_555 ? O(56) N(11) 3.242(8) . 3_555 ? O(56) C(16) 3.275(8) . 3_555 ? O(56) C(315) 3.42(1) . 3_555 ? O(57) C(115) 3.268(8) . 3_555 ? O(57) C(119) 3.504(10) . 3_555 ? O(58) N(29) 3.036(4) . 2_564 ? O(58) C(201) 3.050(5) . 2_564 ? O(58) C(24) 3.308(5) . 2_564 ? O(58) C(202) 3.504(6) . 2_564 ? O(58) C(216) 3.507(6) . 1_554 ? O(58) N(23) 3.591(4) . 2_564 ? O(59) C(115) 3.581(8) . 3_555 ? O(101) O(303) 2.954(6) . 3_455 ? O(101) O(302) 3.226(6) . 3_455 ? O(102) C(217) 3.398(8) . 2_564 ? O(103) O(501) 2.77(2) . 3_455 ? O(103) O(504) 3.43(3) . 3_455 ? O(105) C(117) 3.28(1) . 3_555 ? O(105) O(503) 3.33(3) . 4_645 ? O(105) C(112) 3.56(1) . 3_555 ? O(201) C(213) 3.264(7) . 2_564 ? O(201) C(212) 3.445(6) . 2_564 ? O(201) C(214) 3.473(7) . 2_564 ? O(202) O(305) 2.690(9) . 4_655 ? O(202) C(219) 3.231(8) . 2_564 ? O(202) C(215) 3.284(8) . 2_564 ? O(202) C(214) 3.299(7) . 2_564 ? O(202) C(210) 3.343(7) . 2_564 ? O(203) O(502) 2.88(3) . 2_564 ? O(203) O(301) 3.312(7) . 4_655 ? O(302) C(18) 2.986(7) . 3_555 ? O(302) N(19) 3.329(6) . 3_555 ? O(302) C(101) 3.436(8) . 3_555 ? O(302) C(118) 3.520(9) . 3_555 ? O(303) C(318) 3.356(9) . 4_655 ? O(303) C(104) 3.514(9) . 3_555 ? N(23) C(217) 3.438(7) . 2_564 ? N(23) C(216) 3.457(8) . 2_564 ? #------------------------------------------------------------------------------