# Supplementary Material (ESI) for New Journal of Chemistry # This journal is © The Royal Society of Chemistry and # The Centre National de la Recherche Scientifique, 2003 data_global _journal_coden_Cambridge 440 loop_ _publ_author_name 'Samaresh Bhattacharya' 'Rama Acharyya' 'Falguni Basuli' 'Georgina Rosair' _publ_contact_author_name 'Dr Samaresh Bhattacharya' _publ_contact_author_address ; Department of Chemistry Jadavpur University Kolkata 700032 INDIA ; _publ_contact_author_email SAMARESH_B@HOTMAIL.COM _publ_requested_journal 'New Journal of Chemistry' _publ_section_title ; Synthesis, structure and electrochemical properties of some oxime complexes of rhodium ; data_s3 _database_code_CSD 220837 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C52 H46 Cl0 N2 O4 P2 Rh' _chemical_formula_weight 927.76 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 11.168(3) _cell_length_b 17.158(2) _cell_length_c 23.129(6) _cell_angle_alpha 90.00 _cell_angle_beta 96.68(2) _cell_angle_gamma 90.00 _cell_volume 4401.9(17) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 33 _cell_measurement_theta_min 2.39 _cell_measurement_theta_max 16.91 _exptl_crystal_description rectangular_block _exptl_crystal_colour orange _exptl_crystal_size_max 0.38 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.16 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.400 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1916 _exptl_absorpt_coefficient_mu 0.509 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.7494 _exptl_absorpt_correction_T_max 0.8178 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% none _diffrn_reflns_number 9565 _diffrn_reflns_av_R_equivalents 0.0908 _diffrn_reflns_av_sigmaI/netI 0.1252 _diffrn_reflns_limit_h_min -1 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 1 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.13 _diffrn_reflns_theta_max 24.95 _reflns_number_total 7654 _reflns_number_gt 4702 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+5.8644P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7654 _refine_ls_number_parameters 553 _refine_ls_number_restraints 6 _refine_ls_R_factor_all 0.1200 _refine_ls_R_factor_gt 0.0578 _refine_ls_wR_factor_ref 0.1347 _refine_ls_wR_factor_gt 0.1113 _refine_ls_goodness_of_fit_ref 1.014 _refine_ls_restrained_S_all 1.014 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Rh1 Rh 0.97060(4) 0.20834(3) 0.852182(19) 0.01000(13) Uani 1 1 d . . . P1 P 0.82487(13) 0.21937(9) 0.76801(6) 0.0104(3) Uani 1 1 d . . . P2 P 1.11810(13) 0.20749(10) 0.93589(6) 0.0121(3) Uani 1 1 d . . . N1 N 1.0119(4) 0.0948(3) 0.8380(2) 0.0144(11) Uani 1 1 d . . . N2 N 0.8326(4) 0.1829(3) 0.8990(2) 0.0149(11) Uani 1 1 d . . . O1 O 1.1093(3) 0.2380(2) 0.80581(16) 0.0121(9) Uani 1 1 d . . . O2 O 0.9376(4) 0.3231(2) 0.86334(16) 0.0142(9) Uani 1 1 d . . . C11 C 1.1247(5) 0.1984(4) 0.7576(2) 0.0154(13) Uani 1 1 d . . . O11 O 0.9775(4) 0.0429(2) 0.87800(17) 0.0183(10) Uani 1 1 d . . . C12 C 1.1582(5) 0.2401(4) 0.7093(3) 0.0182(14) Uani 1 1 d . . . H12 H 1.1680 0.2951 0.7120 0.022 Uiso 1 1 calc R . . C13 C 1.1769(5) 0.2027(4) 0.6578(2) 0.0239(15) Uani 1 1 d . . . H13 H 1.1976 0.2322 0.6257 0.029 Uiso 1 1 calc R . . C14 C 1.1656(6) 0.1231(4) 0.6533(3) 0.0282(16) Uani 1 1 d . . . H14 H 1.1794 0.0976 0.6183 0.034 Uiso 1 1 calc R . . C15 C 1.1342(6) 0.0802(4) 0.7001(3) 0.0223(15) Uani 1 1 d . . . H15 H 1.1263 0.0252 0.6963 0.027 Uiso 1 1 calc R . . C16 C 1.1137(5) 0.1157(3) 0.7528(3) 0.0156(13) Uani 1 1 d . . . C17 C 1.0775(5) 0.0665(3) 0.7997(2) 0.0132(13) Uani 1 1 d . . . C18 C 1.1090(6) -0.0192(4) 0.8029(3) 0.0246(16) Uani 1 1 d . . . H18A H 1.1449 -0.0321 0.8425 0.037 Uiso 1 1 calc R . . H18B H 1.1668 -0.0309 0.7753 0.037 Uiso 1 1 calc R . . H18C H 1.0358 -0.0502 0.7931 0.037 Uiso 1 1 calc R . . C21 C 0.8923(5) 0.3518(3) 0.9095(2) 0.0136(13) Uani 1 1 d . . . C22 C 0.9184(5) 0.4300(3) 0.9243(3) 0.0177(14) Uani 1 1 d . . . H22A H 0.9710 0.4585 0.9026 0.021 Uiso 1 1 calc R . . O22 O 0.7901(4) 0.1079(2) 0.89335(18) 0.0176(10) Uani 1 1 d . . . H22B H 0.8440 0.0788 0.8828 0.021 Uiso 1 1 calc R . . C23 C 0.8696(6) 0.4671(4) 0.9699(3) 0.0244(16) Uani 1 1 d . . . H23 H 0.8880 0.5201 0.9788 0.029 Uiso 1 1 calc R . . C24 C 0.7944(6) 0.4256(4) 1.0016(3) 0.0255(16) Uani 1 1 d . . . H24 H 0.7619 0.4496 1.0334 0.031 Uiso 1 1 calc R . . C25 C 0.7663(6) 0.3492(4) 0.9874(3) 0.0222(15) Uani 1 1 d . . . H25 H 0.7143 0.3217 1.0099 0.027 Uiso 1 1 calc R . . C26 C 0.8108(5) 0.3101(3) 0.9410(2) 0.0126(13) Uani 1 1 d . . . C27 C 0.7717(5) 0.2299(3) 0.9284(2) 0.0131(13) Uani 1 1 d . . . C28 C 0.6591(5) 0.1999(4) 0.9509(3) 0.0203(14) Uani 1 1 d . . . H28A H 0.6215 0.1602 0.9242 0.030 Uiso 1 1 calc R . . H28B H 0.6026 0.2431 0.9535 0.030 Uiso 1 1 calc R . . H28C H 0.6799 0.1769 0.9895 0.030 Uiso 1 1 calc R . . C111 C 0.6662(5) 0.2269(3) 0.7830(2) 0.0130(13) Uani 1 1 d . . . C112 C 0.6380(5) 0.2937(4) 0.8127(2) 0.0149(12) Uani 1 1 d . . . H112 H 0.6998 0.3293 0.8267 0.018 Uiso 1 1 calc R . . C113 C 0.5182(5) 0.3084(4) 0.8218(2) 0.0188(15) Uani 1 1 d . . . H113 H 0.4984 0.3543 0.8415 0.023 Uiso 1 1 calc R . . C114 C 0.4280(6) 0.2555(4) 0.8018(3) 0.0222(15) Uani 1 1 d . . . H114 H 0.3466 0.2651 0.8079 0.027 Uiso 1 1 calc R . . C115 C 0.4581(5) 0.1886(4) 0.7727(3) 0.0216(15) Uani 1 1 d . . . H115 H 0.3968 0.1525 0.7590 0.026 Uiso 1 1 calc R . . C116 C 0.5770(5) 0.1739(4) 0.7635(3) 0.0174(14) Uani 1 1 d . . . H116 H 0.5968 0.1278 0.7440 0.021 Uiso 1 1 calc R . . C117 C 0.8383(5) 0.3088(3) 0.7256(2) 0.0101(12) Uani 1 1 d . . . C118 C 0.7431(6) 0.3291(4) 0.6831(2) 0.0192(14) Uani 1 1 d . . . H118 H 0.6752 0.2956 0.6761 0.023 Uiso 1 1 calc R . . C119 C 0.7470(6) 0.3970(4) 0.6514(3) 0.0240(16) Uani 1 1 d . . . H119 H 0.6820 0.4102 0.6228 0.029 Uiso 1 1 calc R . . C120 C 0.8464(6) 0.4462(4) 0.6613(3) 0.0232(16) Uani 1 1 d . . . H120 H 0.8496 0.4927 0.6393 0.028 Uiso 1 1 calc R . . C121 C 0.9406(6) 0.4273(4) 0.7033(3) 0.0210(15) Uani 1 1 d . . . H121 H 1.0082 0.4610 0.7102 0.025 Uiso 1 1 calc R . . C122 C 0.9364(5) 0.3584(3) 0.7359(2) 0.0153(13) Uani 1 1 d . . . H122 H 1.0008 0.3458 0.7649 0.018 Uiso 1 1 calc R . . C123 C 0.8243(5) 0.1369(3) 0.7171(2) 0.0100(12) Uani 1 1 d . . . H123 H 0.8248 0.1817 0.7413 0.012 Uiso 1 1 calc R . . C124 C 0.8054(5) 0.0636(3) 0.7405(3) 0.0148(13) Uani 1 1 d . . . H124 H 0.7908 0.0586 0.7800 0.018 Uiso 1 1 calc R . . C125 C 0.8080(5) -0.0021(4) 0.7054(3) 0.0190(14) Uani 1 1 d . . . H125 H 0.7954 -0.0523 0.7211 0.023 Uiso 1 1 calc R . . C126 C 0.8288(6) 0.0052(3) 0.6481(3) 0.0201(15) Uani 1 1 d . . . H126 H 0.8323 -0.0398 0.6244 0.024 Uiso 1 1 calc R . . C127 C 0.8446(6) 0.0790(4) 0.6249(3) 0.0205(15) Uani 1 1 d . . . H127 H 0.8570 0.0838 0.5851 0.025 Uiso 1 1 calc R . . C128 C 0.8425(5) 0.1456(3) 0.6587(2) 0.0152(14) Uani 1 1 d . . . H128 H 0.8532 0.1958 0.6427 0.018 Uiso 1 1 calc R . . C211 C 1.0543(5) 0.2139(4) 1.0049(2) 0.0186(13) Uani 1 1 d . . . C212 C 0.9774(6) 0.1542(4) 1.0199(3) 0.0257(16) Uani 1 1 d . . . H212 H 0.9606 0.1109 0.9947 0.031 Uiso 1 1 calc R . . C213 C 0.9261(6) 0.1586(5) 1.0716(3) 0.042(2) Uani 1 1 d . . . H213 H 0.8760 0.1174 1.0820 0.051 Uiso 1 1 calc R . . C214 C 0.9468(6) 0.2219(6) 1.1080(3) 0.048(3) Uani 1 1 d . . . H214 H 0.9119 0.2242 1.1435 0.057 Uiso 1 1 calc R . . C215 C 1.0184(6) 0.2814(5) 1.0924(3) 0.040(2) Uani 1 1 d . . . H215 H 1.0312 0.3257 1.1170 0.047 Uiso 1 1 calc R . . C216 C 1.0727(6) 0.2781(4) 1.0411(3) 0.0246(16) Uani 1 1 d . . . H216 H 1.1222 0.3199 1.0310 0.030 Uiso 1 1 calc R . . C217 C 1.2289(5) 0.2874(4) 0.9394(2) 0.0174(13) Uani 1 1 d . . . C218 C 1.2113(6) 0.3509(4) 0.9023(3) 0.0204(14) Uani 1 1 d . . . H218 H 1.1416 0.3539 0.8746 0.024 Uiso 1 1 calc R . . C219 C 1.2977(6) 0.4108(4) 0.9061(3) 0.0278(17) Uani 1 1 d . . . H219 H 1.2869 0.4544 0.8807 0.033 Uiso 1 1 calc R . . C220 C 1.3993(6) 0.4063(4) 0.9470(3) 0.0322(19) Uani 1 1 d U . . H220 H 1.4578 0.4467 0.9494 0.039 Uiso 1 1 calc R . . C221 C 1.4153(6) 0.3432(4) 0.9843(3) 0.0319(18) Uani 1 1 d . . . H221 H 1.4837 0.3410 1.0128 0.038 Uiso 1 1 calc R . . C222 C 1.3312(6) 0.2829(4) 0.9802(3) 0.0257(15) Uani 1 1 d . . . H222 H 1.3435 0.2389 1.0050 0.031 Uiso 1 1 calc R . . C223 C 1.2171(5) 0.1219(3) 0.9409(2) 0.0150(13) Uani 1 1 d . . . C224 C 1.2237(6) 0.0663(4) 0.9843(3) 0.0235(15) Uani 1 1 d . . . H224 H 1.1724 0.0710 1.0142 0.028 Uiso 1 1 calc R . . C225 C 1.3027(7) 0.0041(4) 0.9857(3) 0.0343(19) Uani 1 1 d . . . H225 H 1.3053 -0.0334 1.0160 0.041 Uiso 1 1 calc R . . C226 C 1.3784(7) -0.0030(4) 0.9423(3) 0.0334(19) Uani 1 1 d . . . H226 H 1.4319 -0.0460 0.9424 0.040 Uiso 1 1 calc R . . C227 C 1.3753(6) 0.0529(4) 0.8992(3) 0.0298(17) Uani 1 1 d . . . H227 H 1.4289 0.0489 0.8702 0.036 Uiso 1 1 calc R . . C228 C 1.2948(6) 0.1147(4) 0.8976(3) 0.0209(15) Uani 1 1 d . . . H228 H 1.2923 0.1521 0.8673 0.025 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Rh1 0.0102(2) 0.0096(2) 0.0104(2) 0.0003(2) 0.00218(16) 0.0002(2) P1 0.0109(8) 0.0103(8) 0.0105(7) -0.0011(6) 0.0028(6) -0.0009(7) P2 0.0112(8) 0.0131(8) 0.0119(7) -0.0004(7) 0.0011(6) 0.0010(8) N1 0.017(3) 0.012(3) 0.014(3) 0.004(2) 0.002(2) -0.001(2) N2 0.021(3) 0.014(3) 0.010(2) 0.003(2) 0.004(2) 0.000(2) O1 0.011(2) 0.012(2) 0.013(2) 0.0016(17) 0.0034(17) -0.0002(17) O2 0.017(2) 0.010(2) 0.017(2) -0.0011(17) 0.0057(18) -0.0007(18) C11 0.009(3) 0.019(3) 0.019(3) -0.004(3) 0.002(2) 0.004(3) O11 0.024(2) 0.014(2) 0.018(2) 0.0046(18) 0.0058(19) 0.001(2) C12 0.012(3) 0.021(3) 0.022(3) 0.004(3) 0.005(3) -0.007(3) C13 0.024(3) 0.033(4) 0.016(3) -0.003(3) 0.010(3) -0.009(3) C14 0.029(4) 0.031(4) 0.027(4) -0.008(3) 0.013(3) 0.002(3) C15 0.020(4) 0.020(4) 0.027(4) -0.006(3) 0.006(3) 0.004(3) C16 0.011(3) 0.017(3) 0.021(3) -0.003(3) 0.006(3) 0.005(3) C17 0.012(3) 0.013(3) 0.013(3) -0.005(2) -0.003(3) 0.002(3) C18 0.030(4) 0.016(3) 0.028(4) -0.002(3) 0.006(3) 0.010(3) C21 0.013(3) 0.012(3) 0.015(3) -0.004(2) 0.000(3) 0.001(3) C22 0.017(3) 0.015(3) 0.020(3) 0.004(3) -0.001(3) 0.002(3) O22 0.020(2) 0.009(2) 0.025(2) -0.0009(18) 0.009(2) -0.0014(19) C23 0.023(4) 0.019(4) 0.030(4) -0.005(3) -0.001(3) 0.004(3) C24 0.031(4) 0.027(4) 0.020(3) -0.005(3) 0.006(3) 0.007(3) C25 0.021(4) 0.030(4) 0.016(3) 0.000(3) 0.005(3) 0.009(3) C26 0.007(3) 0.015(3) 0.014(3) 0.001(2) -0.005(2) 0.003(2) C27 0.016(3) 0.019(3) 0.005(3) 0.008(2) 0.002(2) 0.003(3) C28 0.019(3) 0.017(3) 0.026(3) 0.006(3) 0.008(3) 0.001(3) C111 0.014(3) 0.013(3) 0.012(3) 0.001(2) 0.004(2) 0.000(3) C112 0.013(3) 0.015(3) 0.016(3) 0.001(3) -0.001(2) -0.006(3) C113 0.016(3) 0.022(4) 0.018(3) -0.002(3) 0.002(3) 0.006(3) C114 0.012(3) 0.032(4) 0.024(3) 0.002(3) 0.010(3) 0.005(3) C115 0.011(3) 0.027(4) 0.026(3) -0.006(3) 0.000(3) -0.006(3) C116 0.016(3) 0.013(3) 0.023(3) -0.003(3) 0.001(3) -0.007(3) C117 0.012(3) 0.007(3) 0.012(3) 0.000(2) 0.006(2) -0.003(2) C118 0.020(3) 0.018(3) 0.018(3) 0.001(3) -0.001(3) -0.006(3) C119 0.028(4) 0.023(4) 0.020(3) 0.007(3) -0.001(3) 0.011(3) C120 0.021(4) 0.021(4) 0.029(4) 0.010(3) 0.013(3) 0.005(3) C121 0.019(3) 0.018(3) 0.028(4) 0.002(3) 0.008(3) 0.002(3) C122 0.015(3) 0.018(3) 0.014(3) 0.005(3) 0.006(3) 0.002(3) C123 0.002(3) 0.008(3) 0.020(3) -0.007(2) 0.000(2) -0.002(2) C124 0.014(3) 0.016(3) 0.015(3) 0.001(3) -0.001(3) -0.002(3) C125 0.017(3) 0.016(3) 0.024(3) -0.003(3) 0.001(3) -0.002(3) C126 0.026(4) 0.011(3) 0.022(3) -0.005(3) -0.002(3) 0.005(3) C127 0.025(4) 0.025(4) 0.012(3) -0.003(3) 0.005(3) 0.000(3) C128 0.019(3) 0.011(3) 0.017(3) 0.005(3) 0.005(3) 0.002(3) C211 0.010(3) 0.028(4) 0.016(3) 0.001(3) -0.004(2) 0.005(3) C212 0.014(3) 0.043(4) 0.018(3) 0.008(3) -0.007(3) -0.006(3) C213 0.018(4) 0.082(7) 0.027(4) 0.031(4) 0.004(3) 0.000(4) C214 0.019(4) 0.109(8) 0.016(4) 0.010(5) 0.010(3) 0.020(5) C215 0.030(4) 0.070(6) 0.016(3) 0.001(4) -0.007(3) 0.032(5) C216 0.025(4) 0.033(4) 0.015(3) -0.001(3) -0.004(3) 0.016(3) C217 0.015(3) 0.018(3) 0.021(3) -0.008(3) 0.008(3) 0.004(3) C218 0.023(4) 0.020(3) 0.021(3) -0.010(3) 0.014(3) -0.002(3) C219 0.036(4) 0.017(4) 0.035(4) -0.005(3) 0.024(4) -0.011(3) C220 0.022(4) 0.029(4) 0.050(5) -0.029(4) 0.024(4) -0.024(3) C221 0.009(3) 0.041(5) 0.045(4) -0.026(4) 0.002(3) -0.003(3) C222 0.025(4) 0.021(4) 0.033(4) -0.013(3) 0.007(3) 0.003(3) C223 0.017(3) 0.011(3) 0.015(3) -0.004(3) -0.002(3) 0.000(3) C224 0.031(4) 0.022(4) 0.017(3) -0.002(3) 0.000(3) 0.004(3) C225 0.049(5) 0.022(4) 0.029(4) -0.001(3) -0.009(4) 0.009(4) C226 0.037(4) 0.020(4) 0.038(4) -0.006(3) -0.015(4) 0.019(3) C227 0.020(4) 0.035(4) 0.035(4) -0.005(3) 0.004(3) 0.005(3) C228 0.025(4) 0.019(4) 0.019(3) -0.002(3) 0.003(3) 0.002(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Rh1 O2 2.026(4) . ? Rh1 N2 2.032(5) . ? Rh1 N1 2.038(5) . ? Rh1 O1 2.049(4) . ? Rh1 P2 2.3917(17) . ? Rh1 P1 2.3953(17) . ? P1 C117 1.837(5) . ? P1 C123 1.840(6) . ? P1 C111 1.849(6) . ? P2 C211 1.825(6) . ? P2 C223 1.833(6) . ? P2 C217 1.842(7) . ? N1 C17 1.306(7) . ? N1 O11 1.372(6) . ? N2 C27 1.296(7) . ? N2 O22 1.373(6) . ? O1 C11 1.335(7) . ? O2 C21 1.327(7) . ? C11 C12 1.414(8) . ? C11 C16 1.427(8) . ? C12 C13 1.389(8) . ? C12 H12 0.9500 . ? C13 C14 1.374(9) . ? C13 H13 0.9500 . ? C14 C15 1.387(9) . ? C14 H14 0.9500 . ? C15 C16 1.405(8) . ? C15 H15 0.9500 . ? C16 C17 1.467(8) . ? C17 C18 1.513(8) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C21 C22 1.407(8) . ? C21 C26 1.425(8) . ? C22 C23 1.395(8) . ? C22 H22A 0.9500 . ? O22 H22B 0.8400 . ? C23 C24 1.377(9) . ? C23 H23 0.9500 . ? C24 C25 1.380(9) . ? C24 H24 0.9500 . ? C25 C26 1.403(8) . ? C25 H25 0.9500 . ? C26 C27 1.463(8) . ? C27 C28 1.506(8) . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C111 C116 1.385(8) . ? C111 C112 1.391(8) . ? C112 C113 1.401(8) . ? C112 H112 0.9500 . ? C113 C114 1.394(9) . ? C113 H113 0.9500 . ? C114 C115 1.392(9) . ? C114 H114 0.9500 . ? C115 C116 1.392(8) . ? C115 H115 0.9500 . ? C116 H116 0.9500 . ? C117 C122 1.386(8) . ? C117 C118 1.404(8) . ? C118 C119 1.381(8) . ? C118 H118 0.9500 . ? C119 C120 1.392(9) . ? C119 H119 0.9500 . ? C120 C121 1.386(9) . ? C120 H120 0.9500 . ? C121 C122 1.405(8) . ? C121 H121 0.9500 . ? C122 H122 0.9500 . ? C123 C124 1.395(8) . ? C123 C128 1.397(8) . ? C123 H123 0.9500 . ? C124 C125 1.391(8) . ? C124 H124 0.9500 . ? C125 C126 1.379(8) . ? C125 H125 0.9500 . ? C126 C127 1.394(8) . ? C126 H126 0.9500 . ? C127 C128 1.388(8) . ? C127 H127 0.9500 . ? C128 H128 0.9500 . ? C211 C216 1.384(9) . ? C211 C212 1.406(9) . ? C212 C213 1.386(9) . ? C212 H212 0.9500 . ? C213 C214 1.377(12) . ? C213 H213 0.9500 . ? C214 C215 1.371(11) . ? C214 H214 0.9500 . ? C215 C216 1.397(9) . ? C215 H215 0.9500 . ? C216 H216 0.9500 . ? C217 C218 1.387(9) . ? C217 C222 1.397(9) . ? C218 C219 1.405(9) . ? C218 H218 0.9500 . ? C219 C220 1.393(10) . ? C219 H219 0.9500 . ? C220 C221 1.382(10) . ? C220 H220 0.9500 . ? C221 C222 1.393(9) . ? C221 H221 0.9500 . ? C222 H222 0.9500 . ? C223 C224 1.382(8) . ? C223 C228 1.404(8) . ? C224 C225 1.383(9) . ? C224 H224 0.9500 . ? C225 C226 1.390(10) . ? C225 H225 0.9500 . ? C226 C227 1.381(10) . ? C226 H226 0.9500 . ? C227 C228 1.388(9) . ? C227 H227 0.9500 . ? C228 H228 0.9500 . ? 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_3 _geom_angle_publ_flag O2 Rh1 N2 88.88(17) . . ? O2 Rh1 N1 176.50(18) . . ? N2 Rh1 N1 94.62(19) . . ? O2 Rh1 O1 89.14(15) . . ? N2 Rh1 O1 177.98(18) . . ? N1 Rh1 O1 87.37(17) . . ? O2 Rh1 P2 91.22(12) . . ? N2 Rh1 P2 93.46(14) . . ? N1 Rh1 P2 88.69(14) . . ? O1 Rh1 P2 86.20(11) . . ? O2 Rh1 P1 84.85(12) . . ? N2 Rh1 P1 87.99(14) . . ? N1 Rh1 P1 95.15(14) . . ? O1 Rh1 P1 92.21(11) . . ? P2 Rh1 P1 175.78(6) . . ? C117 P1 C123 107.1(3) . . ? C117 P1 C111 100.4(3) . . ? C123 P1 C111 104.0(3) . . ? C117 P1 Rh1 114.23(19) . . ? C123 P1 Rh1 114.25(18) . . ? C111 P1 Rh1 115.40(18) . . ? C211 P2 C223 106.7(3) . . ? C211 P2 C217 104.2(3) . . ? C223 P2 C217 101.3(3) . . ? C211 P2 Rh1 113.93(19) . . ? C223 P2 Rh1 114.15(19) . . ? C217 P2 Rh1 115.3(2) . . ? C17 N1 O11 116.1(5) . . ? C17 N1 Rh1 128.3(4) . . ? O11 N1 Rh1 115.2(3) . . ? C27 N2 O22 115.9(5) . . ? C27 N2 Rh1 128.5(4) . . ? O22 N2 Rh1 115.2(3) . . ? C11 O1 Rh1 119.3(3) . . ? C21 O2 Rh1 123.7(3) . . ? O1 C11 C12 118.3(5) . . ? O1 C11 C16 123.6(5) . . ? C12 C11 C16 118.1(5) . . ? C13 C12 C11 121.5(6) . . ? C13 C12 H12 119.3 . . ? C11 C12 H12 119.3 . . ? C14 C13 C12 120.2(6) . . ? C14 C13 H13 119.9 . . ? C12 C13 H13 119.9 . . ? C13 C14 C15 119.9(6) . . ? C13 C14 H14 120.0 . . ? C15 C14 H14 120.0 . . ? C14 C15 C16 121.8(6) . . ? C14 C15 H15 119.1 . . ? C16 C15 H15 119.1 . . ? C15 C16 C11 118.5(6) . . ? C15 C16 C17 118.6(5) . . ? C11 C16 C17 122.9(5) . . ? N1 C17 C16 120.8(5) . . ? N1 C17 C18 118.2(5) . . ? C16 C17 C18 120.9(5) . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? O2 C21 C22 117.6(5) . . ? O2 C21 C26 123.4(5) . . ? C22 C21 C26 118.8(5) . . ? C23 C22 C21 122.0(6) . . ? C23 C22 H22A 119.0 . . ? C21 C22 H22A 119.0 . . ? N2 O22 H22B 109.5 . . ? C24 C23 C22 119.0(6) . . ? C24 C23 H23 120.5 . . ? C22 C23 H23 120.5 . . ? C23 C24 C25 119.9(6) . . ? C23 C24 H24 120.0 . . ? C25 C24 H24 120.0 . . ? C24 C25 C26 123.1(6) . . ? C24 C25 H25 118.4 . . ? C26 C25 H25 118.4 . . ? C25 C26 C21 117.1(5) . . ? C25 C26 C27 118.6(5) . . ? C21 C26 C27 124.3(5) . . ? N2 C27 C26 121.8(5) . . ? N2 C27 C28 118.6(5) . . ? C26 C27 C28 119.6(5) . . ? C27 C28 H28A 109.5 . . ? C27 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C27 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C116 C111 C112 120.3(5) . . ? C116 C111 P1 124.3(4) . . ? C112 C111 P1 115.3(4) . . ? C111 C112 C113 119.8(5) . . ? C111 C112 H112 120.1 . . ? C113 C112 H112 120.1 . . ? C114 C113 C112 120.0(6) . . ? C114 C113 H113 120.0 . . ? C112 C113 H113 120.0 . . ? C115 C114 C113 119.4(6) . . ? C115 C114 H114 120.3 . . ? C113 C114 H114 120.3 . . ? C114 C115 C116 120.7(6) . . ? C114 C115 H115 119.6 . . ? C116 C115 H115 119.6 . . ? C111 C116 C115 119.7(6) . . ? C111 C116 H116 120.1 . . ? C115 C116 H116 120.1 . . ? C122 C117 C118 119.1(5) . . ? C122 C117 P1 122.2(4) . . ? C118 C117 P1 118.6(4) . . ? C119 C118 C117 120.9(6) . . ? C119 C118 H118 119.6 . . ? C117 C118 H118 119.6 . . ? C118 C119 C120 119.9(6) . . ? C118 C119 H119 120.1 . . ? C120 C119 H119 120.1 . . ? C121 C120 C119 120.0(6) . . ? C121 C120 H120 120.0 . . ? C119 C120 H120 120.0 . . ? C120 C121 C122 120.2(6) . . ? C120 C121 H121 119.9 . . ? C122 C121 H121 119.9 . . ? C117 C122 C121 120.0(6) . . ? C117 C122 H122 120.0 . . ? C121 C122 H122 120.0 . . ? C124 C123 C128 121.1(5) . . ? C124 C123 P1 115.8(4) . . ? C128 C123 P1 123.1(4) . . ? C124 C123 H123 119.4 . . ? C128 C123 H123 119.4 . . ? P1 C123 H123 3.7 . . ? C125 C124 C123 119.4(5) . . ? C125 C124 H124 120.3 . . ? C123 C124 H124 120.3 . . ? C126 C125 C124 120.3(6) . . ? C126 C125 H125 119.9 . . ? C124 C125 H125 119.9 . . ? C125 C126 C127 119.7(6) . . ? C125 C126 H126 120.1 . . ? C127 C126 H126 120.1 . . ? C128 C127 C126 121.4(5) . . ? C128 C127 H127 119.3 . . ? C126 C127 H127 119.3 . . ? C127 C128 C123 118.1(5) . . ? C127 C128 H128 120.9 . . ? C123 C128 H128 120.9 . . ? C216 C211 C212 118.8(6) . . ? C216 C211 P2 122.1(5) . . ? C212 C211 P2 118.9(5) . . ? C213 C212 C211 120.0(7) . . ? C213 C212 H212 120.0 . . ? C211 C212 H212 120.0 . . ? C214 C213 C212 120.8(7) . . ? C214 C213 H213 119.6 . . ? C212 C213 H213 119.6 . . ? C215 C214 C213 119.3(6) . . ? C215 C214 H214 120.3 . . ? C213 C214 H214 120.3 . . ? C214 C215 C216 121.1(7) . . ? C214 C215 H215 119.4 . . ? C216 C215 H215 119.4 . . ? C211 C216 C215 119.9(7) . . ? C211 C216 H216 120.1 . . ? C215 C216 H216 120.1 . . ? C218 C217 C222 120.4(6) . . ? C218 C217 P2 120.8(5) . . ? C222 C217 P2 118.8(5) . . ? C217 C218 C219 119.3(6) . . ? C217 C218 H218 120.4 . . ? C219 C218 H218 120.4 . . ? C220 C219 C218 120.0(7) . . ? C220 C219 H219 120.0 . . ? C218 C219 H219 120.0 . . ? C221 C220 C219 120.3(6) . . ? C221 C220 H220 119.9 . . ? C219 C220 H220 119.9 . . ? C220 C221 C222 120.1(7) . . ? C220 C221 H221 120.0 . . ? C222 C221 H221 120.0 . . ? C221 C222 C217 119.9(7) . . ? C221 C222 H222 120.1 . . ? C217 C222 H222 120.1 . . ? C224 C223 C228 118.2(6) . . ? C224 C223 P2 125.4(5) . . ? C228 C223 P2 116.4(4) . . ? C223 C224 C225 122.0(6) . . ? C223 C224 H224 119.0 . . ? C225 C224 H224 119.0 . . ? C224 C225 C226 119.4(7) . . ? C224 C225 H225 120.3 . . ? C226 C225 H225 120.3 . . ? C227 C226 C225 119.7(6) . . ? C227 C226 H226 120.2 . . ? C225 C226 H226 120.2 . . ? C226 C227 C228 120.7(7) . . ? C226 C227 H227 119.7 . . ? C228 C227 H227 119.7 . . ? C227 C228 C223 120.1(6) . . ? C227 C228 H228 119.9 . . ? C223 C228 H228 119.9 . . ? 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 O2 Rh1 P1 C117 41.5(2) . . . . ? N2 Rh1 P1 C117 130.6(2) . . . . ? N1 Rh1 P1 C117 -134.9(2) . . . . ? O1 Rh1 P1 C117 -47.4(2) . . . . ? P2 Rh1 P1 C117 20.4(9) . . . . ? O2 Rh1 P1 C123 165.4(2) . . . . ? N2 Rh1 P1 C123 -105.5(2) . . . . ? N1 Rh1 P1 C123 -11.1(2) . . . . ? O1 Rh1 P1 C123 76.5(2) . . . . ? P2 Rh1 P1 C123 144.3(8) . . . . ? O2 Rh1 P1 C111 -74.1(2) . . . . ? N2 Rh1 P1 C111 14.9(2) . . . . ? N1 Rh1 P1 C111 109.4(2) . . . . ? O1 Rh1 P1 C111 -163.1(2) . . . . ? P2 Rh1 P1 C111 -95.3(8) . . . . ? O2 Rh1 P2 C211 72.5(3) . . . . ? N2 Rh1 P2 C211 -16.4(3) . . . . ? N1 Rh1 P2 C211 -111.0(3) . . . . ? O1 Rh1 P2 C211 161.6(3) . . . . ? P1 Rh1 P2 C211 93.6(8) . . . . ? O2 Rh1 P2 C223 -164.5(2) . . . . ? N2 Rh1 P2 C223 106.5(3) . . . . ? N1 Rh1 P2 C223 12.0(3) . . . . ? O1 Rh1 P2 C223 -75.5(2) . . . . ? P1 Rh1 P2 C223 -143.5(8) . . . . ? O2 Rh1 P2 C217 -47.8(2) . . . . ? N2 Rh1 P2 C217 -136.8(2) . . . . ? N1 Rh1 P2 C217 128.7(2) . . . . ? O1 Rh1 P2 C217 41.2(2) . . . . ? P1 Rh1 P2 C217 -26.8(9) . . . . ? O2 Rh1 N1 C17 -14(3) . . . . ? N2 Rh1 N1 C17 163.9(5) . . . . ? O1 Rh1 N1 C17 -16.5(5) . . . . ? P2 Rh1 N1 C17 -102.7(5) . . . . ? P1 Rh1 N1 C17 75.5(5) . . . . ? O2 Rh1 N1 O11 158(3) . . . . ? N2 Rh1 N1 O11 -24.1(4) . . . . ? O1 Rh1 N1 O11 155.6(4) . . . . ? P2 Rh1 N1 O11 69.3(4) . . . . ? P1 Rh1 N1 O11 -112.5(3) . . . . ? O2 Rh1 N2 C27 -8.8(5) . . . . ? N1 Rh1 N2 C27 171.3(5) . . . . ? O1 Rh1 N2 C27 2(5) . . . . ? P2 Rh1 N2 C27 82.4(5) . . . . ? P1 Rh1 N2 C27 -93.6(5) . . . . ? O2 Rh1 N2 O22 163.1(4) . . . . ? N1 Rh1 N2 O22 -16.7(4) . . . . ? O1 Rh1 N2 O22 174(28) . . . . ? P2 Rh1 N2 O22 -105.7(3) . . . . ? P1 Rh1 N2 O22 78.3(3) . . . . ? O2 Rh1 O1 C11 -138.4(4) . . . . ? N2 Rh1 O1 C11 -149(5) . . . . ? N1 Rh1 O1 C11 41.4(4) . . . . ? P2 Rh1 O1 C11 130.3(4) . . . . ? P1 Rh1 O1 C11 -53.6(4) . . . . ? N2 Rh1 O2 C21 29.8(4) . . . . ? N1 Rh1 O2 C21 -152(3) . . . . ? O1 Rh1 O2 C21 -149.8(4) . . . . ? P2 Rh1 O2 C21 -63.6(4) . . . . ? P1 Rh1 O2 C21 117.9(4) . . . . ? Rh1 O1 C11 C12 140.6(4) . . . . ? Rh1 O1 C11 C16 -41.8(7) . . . . ? O1 C11 C12 C13 179.4(5) . . . . ? C16 C11 C12 C13 1.6(9) . . . . ? C11 C12 C13 C14 -1.4(10) . . . . ? C12 C13 C14 C15 0.7(10) . . . . ? C13 C14 C15 C16 -0.3(10) . . . . ? C14 C15 C16 C11 0.6(9) . . . . ? C14 C15 C16 C17 178.3(6) . . . . ? O1 C11 C16 C15 -178.8(5) . . . . ? C12 C11 C16 C15 -1.2(9) . . . . ? O1 C11 C16 C17 3.5(9) . . . . ? C12 C11 C16 C17 -178.9(5) . . . . ? O11 N1 C17 C16 176.5(5) . . . . ? Rh1 N1 C17 C16 -11.6(8) . . . . ? O11 N1 C17 C18 -0.1(8) . . . . ? Rh1 N1 C17 C18 171.9(4) . . . . ? C15 C16 C17 N1 -151.8(6) . . . . ? C11 C16 C17 N1 25.9(9) . . . . ? C15 C16 C17 C18 24.6(9) . . . . ? C11 C16 C17 C18 -157.7(6) . . . . ? Rh1 O2 C21 C22 154.5(4) . . . . ? Rh1 O2 C21 C26 -31.3(7) . . . . ? O2 C21 C22 C23 176.2(5) . . . . ? C26 C21 C22 C23 1.7(9) . . . . ? C21 C22 C23 C24 0.6(9) . . . . ? C22 C23 C24 C25 -1.4(9) . . . . ? C23 C24 C25 C26 -0.1(10) . . . . ? C24 C25 C26 C21 2.4(9) . . . . ? C24 C25 C26 C27 -177.8(6) . . . . ? O2 C21 C26 C25 -177.3(5) . . . . ? C22 C21 C26 C25 -3.1(8) . . . . ? O2 C21 C26 C27 2.9(9) . . . . ? C22 C21 C26 C27 177.1(5) . . . . ? O22 N2 C27 C26 176.1(4) . . . . ? Rh1 N2 C27 C26 -12.0(8) . . . . ? O22 N2 C27 C28 -2.7(7) . . . . ? Rh1 N2 C27 C28 169.2(4) . . . . ? C25 C26 C27 N2 -159.5(5) . . . . ? C21 C26 C27 N2 20.3(8) . . . . ? C25 C26 C27 C28 19.2(8) . . . . ? C21 C26 C27 C28 -161.0(5) . . . . ? C117 P1 C111 C116 117.4(5) . . . . ? C123 P1 C111 C116 6.6(6) . . . . ? Rh1 P1 C111 C116 -119.3(5) . . . . ? C117 P1 C111 C112 -58.5(5) . . . . ? C123 P1 C111 C112 -169.3(4) . . . . ? Rh1 P1 C111 C112 64.8(5) . . . . ? C116 C111 C112 C113 -1.5(9) . . . . ? P1 C111 C112 C113 174.5(4) . . . . ? C111 C112 C113 C114 0.9(9) . . . . ? C112 C113 C114 C115 -0.2(9) . . . . ? C113 C114 C115 C116 0.1(9) . . . . ? C112 C111 C116 C115 1.4(9) . . . . ? P1 C111 C116 C115 -174.3(5) . . . . ? C114 C115 C116 C111 -0.7(9) . . . . ? C123 P1 C117 C122 -117.1(5) . . . . ? C111 P1 C117 C122 134.6(5) . . . . ? Rh1 P1 C117 C122 10.5(5) . . . . ? C123 P1 C117 C118 65.8(5) . . . . ? C111 P1 C117 C118 -42.5(5) . . . . ? Rh1 P1 C117 C118 -166.6(4) . . . . ? C122 C117 C118 C119 0.7(9) . . . . ? P1 C117 C118 C119 177.9(5) . . . . ? C117 C118 C119 C120 0.1(9) . . . . ? C118 C119 C120 C121 -0.6(9) . . . . ? C119 C120 C121 C122 0.3(9) . . . . ? C118 C117 C122 C121 -1.0(8) . . . . ? P1 C117 C122 C121 -178.1(4) . . . . ? C120 C121 C122 C117 0.5(9) . . . . ? C117 P1 C123 C124 -175.3(4) . . . . ? C111 P1 C123 C124 -69.5(5) . . . . ? Rh1 P1 C123 C124 57.1(5) . . . . ? C117 P1 C123 C128 5.3(5) . . . . ? C111 P1 C123 C128 111.1(5) . . . . ? Rh1 P1 C123 C128 -122.3(4) . . . . ? C128 C123 C124 C125 1.8(9) . . . . ? P1 C123 C124 C125 -177.7(4) . . . . ? C123 C124 C125 C126 -0.2(9) . . . . ? C124 C125 C126 C127 -1.4(10) . . . . ? C125 C126 C127 C128 1.4(10) . . . . ? C126 C127 C128 C123 0.1(9) . . . . ? C124 C123 C128 C127 -1.7(9) . . . . ? P1 C123 C128 C127 177.7(5) . . . . ? C223 P2 C211 C216 119.6(5) . . . . ? C217 P2 C211 C216 12.9(6) . . . . ? Rh1 P2 C211 C216 -113.5(5) . . . . ? C223 P2 C211 C212 -64.8(5) . . . . ? C217 P2 C211 C212 -171.5(5) . . . . ? Rh1 P2 C211 C212 62.1(5) . . . . ? C216 C211 C212 C213 -3.0(9) . . . . ? P2 C211 C212 C213 -178.8(5) . . . . ? C211 C212 C213 C214 1.7(10) . . . . ? C212 C213 C214 C215 0.6(11) . . . . ? C213 C214 C215 C216 -1.5(10) . . . . ? C212 C211 C216 C215 2.1(9) . . . . ? P2 C211 C216 C215 177.7(5) . . . . ? C214 C215 C216 C211 0.2(10) . . . . ? C211 P2 C217 C218 -113.1(5) . . . . ? C223 P2 C217 C218 136.3(5) . . . . ? Rh1 P2 C217 C218 12.5(5) . . . . ? C211 P2 C217 C222 66.9(5) . . . . ? C223 P2 C217 C222 -43.8(5) . . . . ? Rh1 P2 C217 C222 -167.5(4) . . . . ? C222 C217 C218 C219 0.1(9) . . . . ? P2 C217 C218 C219 -179.9(4) . . . . ? C217 C218 C219 C220 -0.5(9) . . . . ? C218 C219 C220 C221 -0.3(9) . . . . ? C219 C220 C221 C222 1.5(10) . . . . ? C220 C221 C222 C217 -1.9(9) . . . . ? C218 C217 C222 C221 1.1(9) . . . . ? P2 C217 C222 C221 -178.9(5) . . . . ? C211 P2 C223 C224 10.5(6) . . . . ? C217 P2 C223 C224 119.2(6) . . . . ? Rh1 P2 C223 C224 -116.3(5) . . . . ? C211 P2 C223 C228 -167.3(5) . . . . ? C217 P2 C223 C228 -58.6(5) . . . . ? Rh1 P2 C223 C228 65.9(5) . . . . ? C228 C223 C224 C225 -0.9(9) . . . . ? P2 C223 C224 C225 -178.6(5) . . . . ? C223 C224 C225 C226 0.2(10) . . . . ? C224 C225 C226 C227 1.3(10) . . . . ? C225 C226 C227 C228 -2.0(10) . . . . ? C226 C227 C228 C223 1.3(10) . . . . ? C224 C223 C228 C227 0.1(9) . . . . ? P2 C223 C228 C227 178.0(5) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O22 H22B N1 0.84 2.26 2.927(6) 136.2 . O22 H22B O11 0.84 1.63 2.434(6) 159.6 . _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 24.95 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 0.528 _refine_diff_density_min -0.608 _refine_diff_density_rms 0.130