# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name _publ_author_address H.Braunschweig ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland D-97074 Wuerzburg, Germany ; K.Kraft ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland D-97074 Wuerzburg, Germany ; K.Radacki ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland D-97074 Wuerzburg, Germany ; _publ_contact_author_address ; Institut fuer Anorganische Chemie Universitaet Wuerzburg Am Hubland 97074 Wuerzburg, Germany ; _publ_contact_author_email H.Braunschweig@mail.uni-wuerzburg.de _publ_contact_author_fax +49-931-8884623 _publ_contact_author_phone +49-931-8885260 #TrackingRef '- 2.cif' # 1. Submission Details _publ_contact_author_name 'Holger Braunschweig' _publ_contact_letter ? _publ_requested_category ? _publ_requested_coeditor_name ? _publ_section_title ; Metalloborylene Complexes by Borylene Transmetallation ; data_2 _database_code_depnum_ccdc_archive 'CCDC 783009' _publ_section_abstract ; [{(\h^5-C~5~Me~5~)Fe(CO)~2~)}(\n^2^-B){Cr(CO)~5~}] (1) hold the ability to transfer the metalloborylene moiety to an iridium half-sandwich complex. The isolated product [{(\h^5-C~5~Me~5~)Fe(CO)~2~)}(\n^2^-B){(\h^5^-C~5~Me~5~)Ir(CO)}] (2) is the first metalloborylene not prepared by a salt-elimination-reaction. Addition of 2 to [Pt(PCy~3~)~2~] generates the transition-metal base-stabilized metalloborylene [{(\h^5-C~5~Me~5~)Fe(CO)~2~)}Pt(PPCy~3~)Ir(\h5-C~5~Me~5~)(\n-B)] (3). ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C23 H30 B Fe Ir O3' _chemical_formula_sum 'C23 H30 B Fe Ir O3' _chemical_formula_weight 613.33 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' B B 0.0013 0.0007 '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' Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.398(3) _cell_length_b 9.349(4) _cell_length_c 15.567(5) _cell_angle_alpha 80.62(2) _cell_angle_beta 89.08(2) _cell_angle_gamma 72.57(2) _cell_volume 1149.8(7) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 5772 _cell_measurement_theta_min 2.32 _cell_measurement_theta_max 30.52 _exptl_crystal_description block _exptl_crystal_colour orange _exptl_crystal_size_max 0.36 _exptl_crystal_size_mid 0.34 _exptl_crystal_size_min 0.30 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.772 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 600 _exptl_absorpt_coefficient_mu 6.432 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4276 _exptl_absorpt_correction_T_max 0.7461 _exptl_absorpt_process_details 'Sadabs 2008/1 (Brucker 2008)' _exptl_special_details ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold nitrogen (Oxford Cryostream 700). ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 91182 _diffrn_reflns_av_R_equivalents 0.0684 _diffrn_reflns_av_sigmaI/netI 0.0250 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.33 _diffrn_reflns_theta_max 30.60 _reflns_number_total 7009 _reflns_number_gt 6876 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2008.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.53A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.53A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0395P)^2^+0.2809P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7009 _refine_ls_number_parameters 272 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0210 _refine_ls_R_factor_gt 0.0171 _refine_ls_wR_factor_ref 0.0756 _refine_ls_wR_factor_gt 0.0538 _refine_ls_goodness_of_fit_ref 1.429 _refine_ls_restrained_S_all 1.429 _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 Fe1 Fe 0.37027(4) 0.73214(4) 0.88036(2) 0.00807(7) Uani 1 1 d . . . O2 O 0.6794(3) 0.7264(3) 0.96366(16) 0.0205(4) Uani 1 1 d . . . O1 O 0.4686(3) 0.4091(2) 0.87088(16) 0.0214(4) Uani 1 1 d . . . C1 C 0.4307(3) 0.5357(3) 0.87593(18) 0.0131(5) Uani 1 1 d . . . C2 C 0.5564(3) 0.7287(3) 0.93148(18) 0.0132(5) Uani 1 1 d . . . C4 C 0.1141(3) 0.7569(3) 0.86469(18) 0.0120(4) Uani 1 1 d . . . C5 C 0.1528(3) 0.8797(3) 0.81005(18) 0.0122(4) Uani 1 1 d . . . C6 C 0.2188(3) 0.9600(3) 0.86483(18) 0.0122(5) Uani 1 1 d . . . C7 C 0.2140(3) 0.8886(3) 0.95426(18) 0.0124(5) Uani 1 1 d . . . C8 C 0.1500(4) 0.7646(3) 0.95298(18) 0.0135(5) Uani 1 1 d . . . C9 C 0.0388(4) 0.6460(4) 0.8353(2) 0.0186(5) Uani 1 1 d . . . H9A H 0.0794 0.5477 0.8739 0.028 Uiso 1 1 calc R . . H9B H 0.0709 0.6335 0.7755 0.028 Uiso 1 1 calc R . . H9C H -0.0831 0.6842 0.8372 0.028 Uiso 1 1 calc R . . C10 C 0.1184(4) 0.9248(3) 0.71375(19) 0.0179(5) Uani 1 1 d . . . H10A H 0.1118 0.8367 0.6890 0.027 Uiso 1 1 calc R . . H10B H 0.2086 0.9609 0.6869 0.027 Uiso 1 1 calc R . . H10C H 0.0121 1.0062 0.7024 0.027 Uiso 1 1 calc R . . C11 C 0.2688(4) 1.1003(3) 0.8341(2) 0.0200(6) Uani 1 1 d . . . H11A H 0.3293 1.0896 0.7800 0.030 Uiso 1 1 calc R . . H11B H 0.3411 1.1145 0.8788 0.030 Uiso 1 1 calc R . . H11C H 0.1688 1.1887 0.8235 0.030 Uiso 1 1 calc R . . C12 C 0.2618(4) 0.9406(3) 1.0339(2) 0.0184(6) Uani 1 1 d . . . H12A H 0.1648 1.0160 1.0525 0.028 Uiso 1 1 calc R . . H12B H 0.3520 0.9863 1.0202 0.028 Uiso 1 1 calc R . . H12C H 0.2999 0.8533 1.0809 0.028 Uiso 1 1 calc R . . C13 C 0.1137(3) 0.6642(3) 1.03223(19) 0.0170(5) Uani 1 1 d . . . H13A H 0.1905 0.6577 1.0805 0.026 Uiso 1 1 calc R . . H13B H 0.1286 0.5623 1.0188 0.026 Uiso 1 1 calc R . . H13C H -0.0016 0.7074 1.0490 0.026 Uiso 1 1 calc R . . B1 B 0.4916(3) 0.7469(3) 0.77736(18) 0.0104(5) Uani 1 1 d . . . Ir1 Ir 0.614963(10) 0.752409(9) 0.675053(6) 0.00830(4) Uani 1 1 d . . . C3 C 0.6579(4) 0.9143(3) 0.7120(2) 0.0168(5) Uani 1 1 d . . . O3 O 0.6839(3) 1.0159(3) 0.73772(19) 0.0297(6) Uani 1 1 d . . . C14 C 0.5577(3) 0.5677(3) 0.61697(19) 0.0117(5) Uani 1 1 d . . . C15 C 0.5289(3) 0.6955(3) 0.54764(18) 0.0132(5) Uani 1 1 d . . . C16 C 0.6854(3) 0.7227(3) 0.53006(18) 0.0140(5) Uani 1 1 d . . . C17 C 0.8107(3) 0.6129(3) 0.58824(18) 0.0133(5) Uani 1 1 d . . . C18 C 0.7332(3) 0.5146(3) 0.64107(18) 0.0126(5) Uani 1 1 d . . . C19 C 0.8210(4) 0.3742(4) 0.7039(2) 0.0236(6) Uani 1 1 d . . . H19A H 0.8632 0.2887 0.6723 0.035 Uiso 1 1 calc R . . H19B H 0.7427 0.3510 0.7474 0.035 Uiso 1 1 calc R . . H19C H 0.9146 0.3911 0.7333 0.035 Uiso 1 1 calc R . . C20 C 0.4279(4) 0.4910(4) 0.6478(2) 0.0186(5) Uani 1 1 d . . . H20A H 0.3297 0.5658 0.6660 0.028 Uiso 1 1 calc R . . H20B H 0.4743 0.4100 0.6972 0.028 Uiso 1 1 calc R . . H20C H 0.3954 0.4474 0.6002 0.028 Uiso 1 1 calc R . . C21 C 0.3661(4) 0.7727(4) 0.4974(2) 0.0214(6) Uani 1 1 d . . . H21A H 0.3710 0.8683 0.4624 0.032 Uiso 1 1 calc R . . H21B H 0.2750 0.7940 0.5381 0.032 Uiso 1 1 calc R . . H21C H 0.3461 0.7062 0.4589 0.032 Uiso 1 1 calc R . . C22 C 0.7198(5) 0.8365(4) 0.4579(2) 0.0243(6) Uani 1 1 d . . . H22A H 0.7548 0.7881 0.4066 0.036 Uiso 1 1 calc R . . H22B H 0.8087 0.8733 0.4771 0.036 Uiso 1 1 calc R . . H22C H 0.6182 0.9223 0.4430 0.036 Uiso 1 1 calc R . . C23 C 0.9937(4) 0.5993(4) 0.5898(2) 0.0236(7) Uani 1 1 d . . . H23A H 1.0429 0.5505 0.6479 0.035 Uiso 1 1 calc R . . H23B H 1.0078 0.7008 0.5761 0.035 Uiso 1 1 calc R . . H23C H 1.0497 0.5378 0.5465 0.035 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 Fe1 0.00739(15) 0.00897(15) 0.00762(17) -0.00241(12) 0.00145(12) -0.00164(11) O2 0.0145(9) 0.0238(10) 0.0236(11) -0.0073(9) -0.0044(8) -0.0046(8) O1 0.0285(11) 0.0135(9) 0.0205(11) -0.0027(8) 0.0010(9) -0.0041(8) C1 0.0132(11) 0.0147(11) 0.0108(12) -0.0006(9) -0.0002(9) -0.0041(9) C2 0.0142(11) 0.0129(10) 0.0122(12) -0.0033(9) 0.0027(9) -0.0030(9) C4 0.0070(9) 0.0162(11) 0.0126(12) -0.0017(9) -0.0002(8) -0.0035(8) C5 0.0078(10) 0.0148(11) 0.0117(12) 0.0002(9) 0.0001(8) -0.0010(8) C6 0.0102(10) 0.0103(10) 0.0141(13) -0.0024(9) 0.0023(9) 0.0001(8) C7 0.0111(10) 0.0123(10) 0.0121(12) -0.0035(9) 0.0025(9) -0.0002(8) C8 0.0163(11) 0.0144(11) 0.0062(12) 0.0022(9) 0.0015(9) -0.0016(9) C9 0.0175(12) 0.0238(13) 0.0182(14) -0.0040(11) -0.0005(10) -0.0115(10) C10 0.0165(12) 0.0238(13) 0.0095(12) 0.0024(10) 0.0008(9) -0.0030(10) C11 0.0219(13) 0.0108(11) 0.0261(16) -0.0020(10) 0.0052(11) -0.0039(9) C12 0.0182(13) 0.0185(12) 0.0179(14) -0.0095(10) 0.0007(10) -0.0012(10) C13 0.0141(11) 0.0219(12) 0.0126(13) 0.0010(10) 0.0043(9) -0.0040(9) B1 0.0097(12) 0.0109(11) 0.0110(14) -0.0038(10) 0.0007(10) -0.0027(9) Ir1 0.00712(6) 0.01189(6) 0.00688(7) -0.00441(4) 0.00162(4) -0.00287(4) C3 0.0162(12) 0.0212(13) 0.0172(14) -0.0097(11) 0.0071(10) -0.0089(10) O3 0.0350(13) 0.0319(12) 0.0357(15) -0.0218(11) 0.0121(11) -0.0221(11) C14 0.0112(11) 0.0158(11) 0.0107(12) -0.0078(9) 0.0017(9) -0.0053(9) C15 0.0124(10) 0.0164(11) 0.0106(12) -0.0067(9) -0.0015(9) -0.0020(9) C16 0.0177(11) 0.0182(11) 0.0079(11) -0.0067(9) 0.0036(9) -0.0060(9) C17 0.0089(10) 0.0210(12) 0.0133(12) -0.0118(10) 0.0038(9) -0.0049(9) C18 0.0127(11) 0.0142(11) 0.0115(12) -0.0077(9) 0.0011(9) -0.0023(9) C19 0.0238(14) 0.0187(13) 0.0243(16) -0.0065(11) -0.0072(12) 0.0014(11) C20 0.0172(12) 0.0252(13) 0.0203(15) -0.0116(11) 0.0052(10) -0.0129(10) C21 0.0168(12) 0.0268(14) 0.0161(14) -0.0083(11) -0.0071(10) 0.0033(11) C22 0.0383(17) 0.0226(14) 0.0153(14) -0.0057(11) 0.0117(12) -0.0133(13) C23 0.0101(11) 0.0402(17) 0.0279(17) -0.0241(14) 0.0059(11) -0.0094(11) _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 Fe1 C2 1.755(3) . ? Fe1 C1 1.765(3) . ? Fe1 B1 1.894(3) . ? Fe1 C6 2.106(3) . ? Fe1 C4 2.108(3) . ? Fe1 C5 2.121(3) . ? Fe1 C8 2.122(3) . ? Fe1 C7 2.130(3) . ? O2 C2 1.148(4) . ? O1 C1 1.145(4) . ? C4 C5 1.429(4) . ? C4 C8 1.430(4) . ? C4 C9 1.497(4) . ? C5 C6 1.440(4) . ? C5 C10 1.498(4) . ? C6 C7 1.448(4) . ? C6 C11 1.498(4) . ? C7 C8 1.419(4) . ? C7 C12 1.504(4) . ? C8 C13 1.509(4) . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? B1 Ir1 1.888(3) . ? Ir1 C3 1.836(3) . ? Ir1 C14 2.247(3) . ? Ir1 C18 2.292(3) . ? Ir1 C15 2.315(3) . ? Ir1 C17 2.334(3) . ? Ir1 C16 2.363(3) . ? C3 O3 1.166(4) . ? C14 C15 1.437(4) . ? C14 C18 1.442(4) . ? C14 C20 1.507(4) . ? C15 C16 1.426(4) . ? C15 C21 1.504(4) . ? C16 C17 1.436(4) . ? C16 C22 1.504(4) . ? C17 C18 1.428(4) . ? C17 C23 1.504(4) . ? C18 C19 1.500(4) . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? 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 C2 Fe1 C1 95.57(12) . . ? C2 Fe1 B1 83.67(13) . . ? C1 Fe1 B1 84.88(12) . . ? C2 Fe1 C6 105.43(12) . . ? C1 Fe1 C6 158.98(12) . . ? B1 Fe1 C6 97.93(11) . . ? C2 Fe1 C4 158.36(12) . . ? C1 Fe1 C4 93.24(12) . . ? B1 Fe1 C4 116.84(12) . . ? C6 Fe1 C4 66.82(11) . . ? C2 Fe1 C5 143.01(12) . . ? C1 Fe1 C5 119.86(12) . . ? B1 Fe1 C5 88.95(11) . . ? C6 Fe1 C5 39.83(11) . . ? C4 Fe1 C5 39.51(10) . . ? C2 Fe1 C8 118.98(13) . . ? C1 Fe1 C8 102.97(12) . . ? B1 Fe1 C8 154.52(11) . . ? C6 Fe1 C8 66.31(11) . . ? C4 Fe1 C8 39.51(11) . . ? C5 Fe1 C8 66.02(11) . . ? C2 Fe1 C7 94.43(12) . . ? C1 Fe1 C7 138.99(12) . . ? B1 Fe1 C7 135.79(11) . . ? C6 Fe1 C7 39.98(10) . . ? C4 Fe1 C7 66.39(11) . . ? C5 Fe1 C7 66.53(11) . . ? C8 Fe1 C7 39.01(11) . . ? O1 C1 Fe1 178.3(3) . . ? O2 C2 Fe1 178.9(3) . . ? C5 C4 C8 107.9(2) . . ? C5 C4 C9 126.1(3) . . ? C8 C4 C9 125.9(3) . . ? C5 C4 Fe1 70.75(14) . . ? C8 C4 Fe1 70.77(16) . . ? C9 C4 Fe1 127.00(19) . . ? C4 C5 C6 107.9(2) . . ? C4 C5 C10 126.2(3) . . ? C6 C5 C10 125.7(3) . . ? C4 C5 Fe1 69.74(14) . . ? C6 C5 Fe1 69.51(14) . . ? C10 C5 Fe1 129.88(19) . . ? C5 C6 C7 107.7(2) . . ? C5 C6 C11 125.4(3) . . ? C7 C6 C11 126.8(3) . . ? C5 C6 Fe1 70.66(14) . . ? C7 C6 Fe1 70.90(14) . . ? C11 C6 Fe1 127.82(19) . . ? C8 C7 C6 107.5(2) . . ? C8 C7 C12 126.4(3) . . ? C6 C7 C12 126.1(3) . . ? C8 C7 Fe1 70.19(16) . . ? C6 C7 Fe1 69.12(14) . . ? C12 C7 Fe1 127.79(19) . . ? C7 C8 C4 109.0(2) . . ? C7 C8 C13 125.5(3) . . ? C4 C8 C13 125.3(3) . . ? C7 C8 Fe1 70.80(16) . . ? C4 C8 Fe1 69.72(15) . . ? C13 C8 Fe1 128.93(19) . . ? C4 C9 H9A 109.5 . . ? C4 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C4 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C5 C10 H10A 109.5 . . ? C5 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C5 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C6 C11 H11A 109.5 . . ? C6 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C6 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C7 C12 H12A 109.5 . . ? C7 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C7 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C8 C13 H13A 109.5 . . ? C8 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C8 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? Ir1 B1 Fe1 177.51(16) . . ? C3 Ir1 B1 83.77(13) . . ? C3 Ir1 C14 174.47(12) . . ? B1 Ir1 C14 100.15(11) . . ? C3 Ir1 C18 144.71(11) . . ? B1 Ir1 C18 112.01(11) . . ? C14 Ir1 C18 37.03(9) . . ? C3 Ir1 C15 137.81(12) . . ? B1 Ir1 C15 121.96(11) . . ? C14 Ir1 C15 36.67(10) . . ? C18 Ir1 C15 60.95(10) . . ? C3 Ir1 C17 117.85(11) . . ? B1 Ir1 C17 146.42(11) . . ? C14 Ir1 C17 60.55(10) . . ? C18 Ir1 C17 35.94(10) . . ? C15 Ir1 C17 59.92(9) . . ? C3 Ir1 C16 115.34(12) . . ? B1 Ir1 C16 157.32(11) . . ? C14 Ir1 C16 60.00(10) . . ? C18 Ir1 C16 59.81(10) . . ? C15 Ir1 C16 35.46(9) . . ? C17 Ir1 C16 35.60(10) . . ? O3 C3 Ir1 178.1(3) . . ? C15 C14 C18 108.5(2) . . ? C15 C14 C20 124.1(3) . . ? C18 C14 C20 126.8(3) . . ? C15 C14 Ir1 74.24(16) . . ? C18 C14 Ir1 73.17(15) . . ? C20 C14 Ir1 125.75(19) . . ? C16 C15 C14 107.4(2) . . ? C16 C15 C21 127.1(3) . . ? C14 C15 C21 125.1(3) . . ? C16 C15 Ir1 74.10(16) . . ? C14 C15 Ir1 69.09(15) . . ? C21 C15 Ir1 127.18(19) . . ? C15 C16 C17 108.5(2) . . ? C15 C16 C22 126.6(3) . . ? C17 C16 C22 124.7(3) . . ? C15 C16 Ir1 70.44(15) . . ? C17 C16 Ir1 71.11(15) . . ? C22 C16 Ir1 128.5(2) . . ? C18 C17 C16 108.3(2) . . ? C18 C17 C23 126.0(3) . . ? C16 C17 C23 125.6(3) . . ? C18 C17 Ir1 70.41(14) . . ? C16 C17 Ir1 73.29(15) . . ? C23 C17 Ir1 124.46(19) . . ? C17 C18 C14 107.3(2) . . ? C17 C18 C19 126.1(3) . . ? C14 C18 C19 126.5(3) . . ? C17 C18 Ir1 73.65(15) . . ? C14 C18 Ir1 69.80(15) . . ? C19 C18 Ir1 126.0(2) . . ? C18 C19 H19A 109.5 . . ? C18 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C18 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C14 C20 H20A 109.5 . . ? C14 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C14 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C15 C21 H21A 109.5 . . ? C15 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C15 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C16 C22 H22A 109.5 . . ? C16 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C16 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C17 C23 H23A 109.5 . . ? C17 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C17 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? 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 C2 Fe1 C4 C5 110.4(3) . . . . ? C1 Fe1 C4 C5 -135.66(17) . . . . ? B1 Fe1 C4 C5 -49.77(19) . . . . ? C6 Fe1 C4 C5 37.45(16) . . . . ? C8 Fe1 C4 C5 117.8(2) . . . . ? C7 Fe1 C4 C5 81.19(17) . . . . ? C2 Fe1 C4 C8 -7.4(4) . . . . ? C1 Fe1 C4 C8 106.54(18) . . . . ? B1 Fe1 C4 C8 -167.56(16) . . . . ? C6 Fe1 C4 C8 -80.34(17) . . . . ? C5 Fe1 C4 C8 -117.8(2) . . . . ? C7 Fe1 C4 C8 -36.60(16) . . . . ? C2 Fe1 C4 C9 -128.5(3) . . . . ? C1 Fe1 C4 C9 -14.5(3) . . . . ? B1 Fe1 C4 C9 71.4(3) . . . . ? C6 Fe1 C4 C9 158.6(3) . . . . ? C5 Fe1 C4 C9 121.2(3) . . . . ? C8 Fe1 C4 C9 -121.0(3) . . . . ? C7 Fe1 C4 C9 -157.6(3) . . . . ? C8 C4 C5 C6 2.1(3) . . . . ? C9 C4 C5 C6 178.5(2) . . . . ? Fe1 C4 C5 C6 -59.23(17) . . . . ? C8 C4 C5 C10 -173.4(2) . . . . ? C9 C4 C5 C10 2.9(4) . . . . ? Fe1 C4 C5 C10 125.2(3) . . . . ? C8 C4 C5 Fe1 61.36(18) . . . . ? C9 C4 C5 Fe1 -122.3(3) . . . . ? C2 Fe1 C5 C4 -144.9(2) . . . . ? C1 Fe1 C5 C4 53.6(2) . . . . ? B1 Fe1 C5 C4 137.06(17) . . . . ? C6 Fe1 C5 C4 -119.2(2) . . . . ? C8 Fe1 C5 C4 -38.03(16) . . . . ? C7 Fe1 C5 C4 -80.81(17) . . . . ? C2 Fe1 C5 C6 -25.7(3) . . . . ? C1 Fe1 C5 C6 172.79(16) . . . . ? B1 Fe1 C5 C6 -103.73(17) . . . . ? C4 Fe1 C5 C6 119.2(2) . . . . ? C8 Fe1 C5 C6 81.19(17) . . . . ? C7 Fe1 C5 C6 38.41(15) . . . . ? C2 Fe1 C5 C10 94.3(3) . . . . ? C1 Fe1 C5 C10 -67.2(3) . . . . ? B1 Fe1 C5 C10 16.3(3) . . . . ? C6 Fe1 C5 C10 120.0(3) . . . . ? C4 Fe1 C5 C10 -120.8(3) . . . . ? C8 Fe1 C5 C10 -158.8(3) . . . . ? C7 Fe1 C5 C10 158.4(3) . . . . ? C4 C5 C6 C7 -2.2(3) . . . . ? C10 C5 C6 C7 173.3(2) . . . . ? Fe1 C5 C6 C7 -61.59(17) . . . . ? C4 C5 C6 C11 -177.4(2) . . . . ? C10 C5 C6 C11 -1.8(4) . . . . ? Fe1 C5 C6 C11 123.2(3) . . . . ? C4 C5 C6 Fe1 59.38(17) . . . . ? C10 C5 C6 Fe1 -125.1(3) . . . . ? C2 Fe1 C6 C5 164.29(16) . . . . ? C1 Fe1 C6 C5 -17.7(4) . . . . ? B1 Fe1 C6 C5 78.71(17) . . . . ? C4 Fe1 C6 C5 -37.16(15) . . . . ? C8 Fe1 C6 C5 -80.39(17) . . . . ? C7 Fe1 C6 C5 -117.5(2) . . . . ? C2 Fe1 C6 C7 -78.20(18) . . . . ? C1 Fe1 C6 C7 99.8(3) . . . . ? B1 Fe1 C6 C7 -163.78(16) . . . . ? C4 Fe1 C6 C7 80.35(17) . . . . ? C5 Fe1 C6 C7 117.5(2) . . . . ? C8 Fe1 C6 C7 37.12(16) . . . . ? C2 Fe1 C6 C11 44.0(3) . . . . ? C1 Fe1 C6 C11 -138.0(3) . . . . ? B1 Fe1 C6 C11 -41.6(3) . . . . ? C4 Fe1 C6 C11 -157.4(3) . . . . ? C5 Fe1 C6 C11 -120.3(3) . . . . ? C8 Fe1 C6 C11 159.3(3) . . . . ? C7 Fe1 C6 C11 122.2(3) . . . . ? C5 C6 C7 C8 1.5(3) . . . . ? C11 C6 C7 C8 176.6(2) . . . . ? Fe1 C6 C7 C8 -59.99(18) . . . . ? C5 C6 C7 C12 -176.3(2) . . . . ? C11 C6 C7 C12 -1.2(4) . . . . ? Fe1 C6 C7 C12 122.2(3) . . . . ? C5 C6 C7 Fe1 61.44(17) . . . . ? C11 C6 C7 Fe1 -123.5(3) . . . . ? C2 Fe1 C7 C8 -132.55(17) . . . . ? C1 Fe1 C7 C8 -28.8(2) . . . . ? B1 Fe1 C7 C8 141.98(18) . . . . ? C6 Fe1 C7 C8 118.6(2) . . . . ? C4 Fe1 C7 C8 37.06(16) . . . . ? C5 Fe1 C7 C8 80.33(17) . . . . ? C2 Fe1 C7 C6 108.84(17) . . . . ? C1 Fe1 C7 C6 -147.41(19) . . . . ? B1 Fe1 C7 C6 23.4(2) . . . . ? C4 Fe1 C7 C6 -81.54(17) . . . . ? C5 Fe1 C7 C6 -38.27(15) . . . . ? C8 Fe1 C7 C6 -118.6(2) . . . . ? C2 Fe1 C7 C12 -11.3(3) . . . . ? C1 Fe1 C7 C12 92.5(3) . . . . ? B1 Fe1 C7 C12 -96.7(3) . . . . ? C6 Fe1 C7 C12 -120.1(3) . . . . ? C4 Fe1 C7 C12 158.4(3) . . . . ? C5 Fe1 C7 C12 -158.4(3) . . . . ? C8 Fe1 C7 C12 121.3(3) . . . . ? C6 C7 C8 C4 -0.1(3) . . . . ? C12 C7 C8 C4 177.6(2) . . . . ? Fe1 C7 C8 C4 -59.45(19) . . . . ? C6 C7 C8 C13 -176.0(2) . . . . ? C12 C7 C8 C13 1.7(4) . . . . ? Fe1 C7 C8 C13 124.7(3) . . . . ? C6 C7 C8 Fe1 59.31(17) . . . . ? C12 C7 C8 Fe1 -122.9(3) . . . . ? C5 C4 C8 C7 -1.2(3) . . . . ? C9 C4 C8 C7 -177.6(2) . . . . ? Fe1 C4 C8 C7 60.11(19) . . . . ? C5 C4 C8 C13 174.7(2) . . . . ? C9 C4 C8 C13 -1.7(4) . . . . ? Fe1 C4 C8 C13 -124.0(3) . . . . ? C5 C4 C8 Fe1 -61.35(17) . . . . ? C9 C4 C8 Fe1 122.3(3) . . . . ? C2 Fe1 C8 C7 57.09(19) . . . . ? C1 Fe1 C8 C7 161.07(17) . . . . ? B1 Fe1 C8 C7 -93.2(3) . . . . ? C6 Fe1 C8 C7 -38.03(16) . . . . ? C4 Fe1 C8 C7 -119.8(2) . . . . ? C5 Fe1 C8 C7 -81.75(17) . . . . ? C2 Fe1 C8 C4 176.87(16) . . . . ? C1 Fe1 C8 C4 -79.15(18) . . . . ? B1 Fe1 C8 C4 26.5(3) . . . . ? C6 Fe1 C8 C4 81.75(17) . . . . ? C5 Fe1 C8 C4 38.03(16) . . . . ? C7 Fe1 C8 C4 119.8(2) . . . . ? C2 Fe1 C8 C13 -63.5(3) . . . . ? C1 Fe1 C8 C13 40.5(3) . . . . ? B1 Fe1 C8 C13 146.2(3) . . . . ? C6 Fe1 C8 C13 -158.6(3) . . . . ? C4 Fe1 C8 C13 119.6(3) . . . . ? C5 Fe1 C8 C13 157.6(3) . . . . ? C7 Fe1 C8 C13 -120.6(3) . . . . ? B1 Ir1 C14 C15 131.29(16) . . . . ? C18 Ir1 C14 C15 -115.5(2) . . . . ? C17 Ir1 C14 C15 -78.15(17) . . . . ? C16 Ir1 C14 C15 -36.93(15) . . . . ? B1 Ir1 C14 C18 -113.25(18) . . . . ? C15 Ir1 C14 C18 115.5(2) . . . . ? C17 Ir1 C14 C18 37.32(16) . . . . ? C16 Ir1 C14 C18 78.53(17) . . . . ? B1 Ir1 C14 C20 10.4(3) . . . . ? C18 Ir1 C14 C20 123.6(3) . . . . ? C15 Ir1 C14 C20 -120.9(3) . . . . ? C17 Ir1 C14 C20 160.9(3) . . . . ? C16 Ir1 C14 C20 -157.8(3) . . . . ? C18 C14 C15 C16 -1.0(3) . . . . ? C20 C14 C15 C16 -172.5(2) . . . . ? Ir1 C14 C15 C16 64.70(19) . . . . ? C18 C14 C15 C21 172.8(2) . . . . ? C20 C14 C15 C21 1.3(4) . . . . ? Ir1 C14 C15 C21 -121.5(3) . . . . ? C18 C14 C15 Ir1 -65.69(18) . . . . ? C20 C14 C15 Ir1 122.8(3) . . . . ? C3 Ir1 C15 C16 63.2(2) . . . . ? B1 Ir1 C15 C16 -176.90(16) . . . . ? C14 Ir1 C15 C16 -116.2(2) . . . . ? C18 Ir1 C15 C16 -77.78(17) . . . . ? C17 Ir1 C15 C16 -36.24(16) . . . . ? C3 Ir1 C15 C14 179.49(16) . . . . ? B1 Ir1 C15 C14 -60.66(19) . . . . ? C18 Ir1 C15 C14 38.46(15) . . . . ? C17 Ir1 C15 C14 80.00(17) . . . . ? C16 Ir1 C15 C14 116.2(2) . . . . ? C3 Ir1 C15 C21 -61.6(3) . . . . ? B1 Ir1 C15 C21 58.2(3) . . . . ? C14 Ir1 C15 C21 118.9(3) . . . . ? C18 Ir1 C15 C21 157.4(3) . . . . ? C17 Ir1 C15 C21 -161.1(3) . . . . ? C16 Ir1 C15 C21 -124.9(3) . . . . ? C14 C15 C16 C17 -0.2(3) . . . . ? C21 C15 C16 C17 -173.8(3) . . . . ? Ir1 C15 C16 C17 61.25(19) . . . . ? C14 C15 C16 C22 174.6(3) . . . . ? C21 C15 C16 C22 0.9(5) . . . . ? Ir1 C15 C16 C22 -124.0(3) . . . . ? C14 C15 C16 Ir1 -61.42(18) . . . . ? C21 C15 C16 Ir1 124.9(3) . . . . ? C3 Ir1 C16 C15 -138.42(17) . . . . ? B1 Ir1 C16 C15 6.8(3) . . . . ? C14 Ir1 C16 C15 38.22(16) . . . . ? C18 Ir1 C16 C15 81.28(17) . . . . ? C17 Ir1 C16 C15 118.5(2) . . . . ? C3 Ir1 C16 C17 103.08(18) . . . . ? B1 Ir1 C16 C17 -111.7(3) . . . . ? C14 Ir1 C16 C17 -80.28(17) . . . . ? C18 Ir1 C16 C17 -37.21(15) . . . . ? C15 Ir1 C16 C17 -118.5(2) . . . . ? C3 Ir1 C16 C22 -16.6(3) . . . . ? B1 Ir1 C16 C22 128.6(3) . . . . ? C14 Ir1 C16 C22 160.0(3) . . . . ? C18 Ir1 C16 C22 -156.9(3) . . . . ? C15 Ir1 C16 C22 121.8(3) . . . . ? C17 Ir1 C16 C22 -119.7(3) . . . . ? C15 C16 C17 C18 1.3(3) . . . . ? C22 C16 C17 C18 -173.6(3) . . . . ? Ir1 C16 C17 C18 62.09(18) . . . . ? C15 C16 C17 C23 178.4(3) . . . . ? C22 C16 C17 C23 3.5(4) . . . . ? Ir1 C16 C17 C23 -120.8(3) . . . . ? C15 C16 C17 Ir1 -60.83(19) . . . . ? C22 C16 C17 Ir1 124.3(3) . . . . ? C3 Ir1 C17 C18 147.57(17) . . . . ? B1 Ir1 C17 C18 22.5(3) . . . . ? C14 Ir1 C17 C18 -38.46(15) . . . . ? C15 Ir1 C17 C18 -80.96(17) . . . . ? C16 Ir1 C17 C18 -117.1(2) . . . . ? C3 Ir1 C17 C16 -95.37(19) . . . . ? B1 Ir1 C17 C16 139.6(2) . . . . ? C14 Ir1 C17 C16 78.60(17) . . . . ? C18 Ir1 C17 C16 117.1(2) . . . . ? C15 Ir1 C17 C16 36.10(15) . . . . ? C3 Ir1 C17 C23 26.7(3) . . . . ? B1 Ir1 C17 C23 -98.3(3) . . . . ? C14 Ir1 C17 C23 -159.3(3) . . . . ? C18 Ir1 C17 C23 -120.8(3) . . . . ? C15 Ir1 C17 C23 158.2(3) . . . . ? C16 Ir1 C17 C23 122.1(3) . . . . ? C16 C17 C18 C14 -1.8(3) . . . . ? C23 C17 C18 C14 -179.0(2) . . . . ? Ir1 C17 C18 C14 62.10(18) . . . . ? C16 C17 C18 C19 173.1(3) . . . . ? C23 C17 C18 C19 -4.0(4) . . . . ? Ir1 C17 C18 C19 -122.9(3) . . . . ? C16 C17 C18 Ir1 -63.95(18) . . . . ? C23 C17 C18 Ir1 118.9(3) . . . . ? C15 C14 C18 C17 1.8(3) . . . . ? C20 C14 C18 C17 172.9(3) . . . . ? Ir1 C14 C18 C17 -64.64(18) . . . . ? C15 C14 C18 C19 -173.2(3) . . . . ? C20 C14 C18 C19 -2.0(5) . . . . ? Ir1 C14 C18 C19 120.4(3) . . . . ? C15 C14 C18 Ir1 66.39(19) . . . . ? C20 C14 C18 Ir1 -122.4(3) . . . . ? C3 Ir1 C18 C17 -55.2(3) . . . . ? B1 Ir1 C18 C17 -166.78(16) . . . . ? C14 Ir1 C18 C17 115.9(2) . . . . ? C15 Ir1 C18 C17 77.85(17) . . . . ? C16 Ir1 C18 C17 36.85(15) . . . . ? C3 Ir1 C18 C14 -171.1(2) . . . . ? B1 Ir1 C18 C14 77.29(19) . . . . ? C15 Ir1 C18 C14 -38.09(16) . . . . ? C17 Ir1 C18 C14 -115.9(2) . . . . ? C16 Ir1 C18 C14 -79.09(18) . . . . ? C3 Ir1 C18 C19 67.9(3) . . . . ? B1 Ir1 C18 C19 -43.7(3) . . . . ? C14 Ir1 C18 C19 -121.0(3) . . . . ? C15 Ir1 C18 C19 -159.1(3) . . . . ? C17 Ir1 C18 C19 123.0(3) . . . . ? C16 Ir1 C18 C19 159.9(3) . . . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.378 _refine_diff_density_min -2.698 _refine_diff_density_rms 0.598 # Attachment '- 4.cif' data_4 _database_code_depnum_ccdc_archive 'CCDC 825189' _publ_section_abstract ;? ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C36 H45 B Fe2 O6 Rh2' _chemical_formula_sum 'C36 H45 B Fe2 O6 Rh2' _chemical_formula_weight 902.05 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' B B 0.0013 0.0007 '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' Fe Fe 0.3463 0.8444 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.8386(7) _cell_length_b 11.5497(9) _cell_length_c 18.0410(14) _cell_angle_alpha 88.332(4) _cell_angle_beta 79.256(3) _cell_angle_gamma 83.798(3) _cell_volume 1798.7(2) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 8103 _cell_measurement_theta_min 2.30 _cell_measurement_theta_max 30.10 _exptl_crystal_description plate _exptl_crystal_colour brown _exptl_crystal_size_max 0.29 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.03 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.665 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 912 _exptl_absorpt_coefficient_mu 1.735 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6194 _exptl_absorpt_correction_T_max 0.7461 _exptl_absorpt_process_details 'Sadabs 2008/1 (Brucker 2008)' _exptl_special_details ; The crystal was immersed in a film of perfluoropolyether oil, mounted on a polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold nitrogen (Oxford Cryostream 700). ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 85082 _diffrn_reflns_av_R_equivalents 0.0427 _diffrn_reflns_av_sigmaI/netI 0.0359 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 1.15 _diffrn_reflns_theta_max 30.51 _reflns_number_total 10273 _reflns_number_gt 8530 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2010.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.68A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.68A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0145P)^2^+0.8583P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 10273 _refine_ls_number_parameters 439 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0357 _refine_ls_R_factor_gt 0.0228 _refine_ls_wR_factor_ref 0.0457 _refine_ls_wR_factor_gt 0.0426 _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_restrained_S_all 1.043 _refine_ls_shift/su_max 0.005 _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 0.704987(13) 0.943568(10) 0.320213(6) 0.01213(3) Uani 1 1 d . . . Rh2 Rh 0.756467(13) 0.739777(10) 0.223500(6) 0.01259(3) Uani 1 1 d . . . Fe1 Fe 0.58317(2) 0.748879(18) 0.120018(12) 0.01244(5) Uani 1 1 d . . . Fe2 Fe 0.93555(2) 0.645996(18) 0.313164(12) 0.01261(5) Uani 1 1 d . . . B1 B 0.8198(2) 0.79322(15) 0.32304(10) 0.0144(3) Uani 1 1 d . . . C1 C 0.52351(19) 0.87342(13) 0.33705(9) 0.0164(3) Uani 1 1 d . . . O1 O 0.40486(13) 0.83705(10) 0.35115(6) 0.0222(3) Uani 1 1 d . . . C2 C 1.08959(18) 0.72488(13) 0.27222(9) 0.0162(3) Uani 1 1 d . . . O2 O 1.18823(13) 0.77924(10) 0.24635(7) 0.0244(3) Uani 1 1 d . . . C3 C 0.90594(18) 0.59654(13) 0.21471(9) 0.0166(3) Uani 1 1 d . . . O3 O 0.95572(13) 0.52216(10) 0.17081(6) 0.0215(2) Uani 1 1 d . . . C4 C 0.57003(18) 0.66587(13) 0.21408(8) 0.0147(3) Uani 1 1 d . . . O4 O 0.49718(13) 0.60171(10) 0.25421(6) 0.0193(2) Uani 1 1 d . . . C5 C 0.76209(19) 0.82422(13) 0.12348(9) 0.0168(3) Uani 1 1 d . . . O5 O 0.85329(14) 0.88265(10) 0.09077(6) 0.0233(3) Uani 1 1 d . . . C6 C 0.46416(18) 0.87394(13) 0.15954(8) 0.0153(3) Uani 1 1 d . . . O6 O 0.38918(13) 0.95689(9) 0.18277(6) 0.0197(2) Uani 1 1 d . . . C1_1 C 0.86325(19) 1.07819(13) 0.26658(9) 0.0181(3) Uani 1 1 d . . . C2_1 C 0.7090(2) 1.12417(13) 0.26248(9) 0.0194(3) Uani 1 1 d . . . C3_1 C 0.62376(19) 1.13688(13) 0.33758(10) 0.0188(3) Uani 1 1 d . . . C4_1 C 0.72506(19) 1.10071(13) 0.38895(9) 0.0177(3) Uani 1 1 d . . . C5_1 C 0.87296(18) 1.06295(13) 0.34496(9) 0.0174(3) Uani 1 1 d . . . C6_1 C 0.9968(2) 1.06386(16) 0.20131(10) 0.0297(4) Uani 1 1 d . . . H6A_1 H 0.9614 1.0360 0.1573 0.045 Uiso 1 1 calc R . . H6B_1 H 1.0783 1.0072 0.2149 0.045 Uiso 1 1 calc R . . H6C_1 H 1.0380 1.1390 0.1892 0.045 Uiso 1 1 calc R . . C7_1 C 0.6520(2) 1.16074(16) 0.19097(11) 0.0338(5) Uani 1 1 d . . . H7A_1 H 0.6792 1.2393 0.1764 0.051 Uiso 1 1 calc R . . H7B_1 H 0.5393 1.1604 0.1992 0.051 Uiso 1 1 calc R . . H7C_1 H 0.7004 1.1063 0.1506 0.051 Uiso 1 1 calc R . . C8_1 C 0.4569(2) 1.18568(16) 0.35957(12) 0.0322(4) Uani 1 1 d . . . H8A_1 H 0.4108 1.1496 0.4071 0.048 Uiso 1 1 calc R . . H8B_1 H 0.4004 1.1691 0.3199 0.048 Uiso 1 1 calc R . . H8C_1 H 0.4510 1.2701 0.3660 0.048 Uiso 1 1 calc R . . C9_1 C 0.6863(2) 1.11042(16) 0.47327(10) 0.0286(4) Uani 1 1 d . . . H9A_1 H 0.7013 1.1888 0.4880 0.043 Uiso 1 1 calc R . . H9B_1 H 0.7542 1.0528 0.4960 0.043 Uiso 1 1 calc R . . H9C_1 H 0.5782 1.0960 0.4909 0.043 Uiso 1 1 calc R . . C10_1 C 1.0195(2) 1.02825(15) 0.37512(11) 0.0266(4) Uani 1 1 d . . . H10A_1 H 1.0904 0.9766 0.3392 0.040 Uiso 1 1 calc R . . H10B_1 H 0.9944 0.9876 0.4236 0.040 Uiso 1 1 calc R . . H10C_1 H 1.0688 1.0981 0.3822 0.040 Uiso 1 1 calc R . . C1_2 C 0.79073(18) 0.58205(13) 0.40909(9) 0.0182(3) Uani 1 1 d . . . C2_2 C 0.91898(18) 0.62848(13) 0.43072(8) 0.0162(3) Uani 1 1 d . . . C3_2 C 1.05740(18) 0.56296(14) 0.39310(9) 0.0175(3) Uani 1 1 d . . . C4_2 C 1.0154(2) 0.47598(13) 0.34855(9) 0.0204(3) Uani 1 1 d . . . C5_2 C 0.8507(2) 0.48831(13) 0.35853(9) 0.0207(3) Uani 1 1 d . . . C6_2 C 0.62278(19) 0.61969(16) 0.43855(10) 0.0283(4) Uani 1 1 d . . . H6A_2 H 0.5871 0.5745 0.4841 0.042 Uiso 1 1 calc R . . H6B_2 H 0.5618 0.6065 0.4000 0.042 Uiso 1 1 calc R . . H6C_2 H 0.6098 0.7027 0.4508 0.042 Uiso 1 1 calc R . . C7_2 C 0.9104(2) 0.72236(15) 0.48750(9) 0.0266(4) Uani 1 1 d . . . H7A_2 H 0.8967 0.6881 0.5383 0.040 Uiso 1 1 calc R . . H7B_2 H 0.8225 0.7803 0.4838 0.040 Uiso 1 1 calc R . . H7C_2 H 1.0064 0.7600 0.4775 0.040 Uiso 1 1 calc R . . C8_2 C 1.21769(19) 0.57920(17) 0.40449(10) 0.0276(4) Uani 1 1 d . . . H8A_2 H 1.2358 0.5414 0.4519 0.041 Uiso 1 1 calc R . . H8B_2 H 1.2283 0.6626 0.4067 0.041 Uiso 1 1 calc R . . H8C_2 H 1.2937 0.5442 0.3624 0.041 Uiso 1 1 calc R . . C9_2 C 1.1226(3) 0.38527(16) 0.30113(11) 0.0360(5) Uani 1 1 d . . . H9A_2 H 1.2292 0.4054 0.2948 0.054 Uiso 1 1 calc R . . H9B_2 H 1.0929 0.3822 0.2516 0.054 Uiso 1 1 calc R . . H9C_2 H 1.1155 0.3091 0.3261 0.054 Uiso 1 1 calc R . . C10_2 C 0.7563(2) 0.40788(16) 0.32671(12) 0.0348(5) Uani 1 1 d . . . H10A_2 H 0.8150 0.3762 0.2788 0.052 Uiso 1 1 calc R . . H10B_2 H 0.6594 0.4512 0.3181 0.052 Uiso 1 1 calc R . . H10C_2 H 0.7330 0.3439 0.3625 0.052 Uiso 1 1 calc R . . C1_3 C 0.60127(19) 0.75921(13) 0.00220(8) 0.0163(3) Uani 1 1 d . . . C2_3 C 0.44691(19) 0.73911(14) 0.03739(9) 0.0168(3) Uani 1 1 d . . . C3_3 C 0.45450(18) 0.63020(13) 0.07703(9) 0.0166(3) Uani 1 1 d . . . C4_3 C 0.61362(19) 0.58292(13) 0.06577(8) 0.0161(3) Uani 1 1 d . . . C5_3 C 0.70366(18) 0.66259(13) 0.02023(8) 0.0164(3) Uani 1 1 d . . . C6_3 C 0.6473(2) 0.85756(14) -0.05015(9) 0.0236(4) Uani 1 1 d . . . H6A_3 H 0.6670 0.8305 -0.1024 0.035 Uiso 1 1 calc R . . H6B_3 H 0.7415 0.8851 -0.0388 0.035 Uiso 1 1 calc R . . H6C_3 H 0.5636 0.9214 -0.0436 0.035 Uiso 1 1 calc R . . C7_3 C 0.3001(2) 0.81332(15) 0.03017(10) 0.0242(4) Uani 1 1 d . . . H7A_3 H 0.2524 0.7806 -0.0083 0.036 Uiso 1 1 calc R . . H7B_3 H 0.3237 0.8926 0.0154 0.036 Uiso 1 1 calc R . . H7C_3 H 0.2284 0.8152 0.0787 0.036 Uiso 1 1 calc R . . C8_3 C 0.3205(2) 0.56954(15) 0.11648(10) 0.0248(4) Uani 1 1 d . . . H8A_3 H 0.2237 0.6184 0.1141 0.037 Uiso 1 1 calc R . . H8B_3 H 0.3298 0.5553 0.1693 0.037 Uiso 1 1 calc R . . H8C_3 H 0.3202 0.4951 0.0918 0.037 Uiso 1 1 calc R . . C9_3 C 0.6698(2) 0.46529(13) 0.09286(10) 0.0223(4) Uani 1 1 d . . . H9A_3 H 0.6470 0.4053 0.0604 0.034 Uiso 1 1 calc R . . H9B_3 H 0.6173 0.4529 0.1449 0.034 Uiso 1 1 calc R . . H9C_3 H 0.7818 0.4606 0.0910 0.034 Uiso 1 1 calc R . . C10_3 C 0.87510(19) 0.64541(15) -0.00785(10) 0.0226(4) Uani 1 1 d . . . H10A_3 H 0.9258 0.6051 0.0309 0.034 Uiso 1 1 calc R . . H10B_3 H 0.9144 0.7213 -0.0191 0.034 Uiso 1 1 calc R . . H10C_3 H 0.8971 0.5985 -0.0538 0.034 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 0.01300(6) 0.01073(6) 0.01292(6) -0.00087(4) -0.00319(5) -0.00085(4) Rh2 0.01324(6) 0.01260(6) 0.01261(6) -0.00099(4) -0.00423(5) -0.00102(5) Fe1 0.01377(11) 0.01264(10) 0.01140(11) -0.00087(8) -0.00345(8) -0.00135(8) Fe2 0.01286(11) 0.01169(10) 0.01385(11) 0.00045(8) -0.00409(8) -0.00110(8) B1 0.0153(9) 0.0144(8) 0.0142(9) 0.0010(6) -0.0035(7) -0.0040(7) C1 0.0197(8) 0.0153(7) 0.0143(8) -0.0020(6) -0.0047(6) 0.0006(6) O1 0.0181(6) 0.0271(6) 0.0215(6) -0.0032(5) -0.0016(5) -0.0058(5) C2 0.0173(8) 0.0156(7) 0.0163(8) -0.0014(6) -0.0064(6) 0.0013(6) O2 0.0194(6) 0.0250(6) 0.0285(7) 0.0026(5) -0.0020(5) -0.0064(5) C3 0.0156(8) 0.0171(7) 0.0180(8) 0.0017(6) -0.0051(6) -0.0026(6) O3 0.0225(6) 0.0207(6) 0.0214(6) -0.0074(5) -0.0062(5) 0.0031(5) C4 0.0157(8) 0.0143(7) 0.0143(8) -0.0038(6) -0.0041(6) 0.0004(6) O4 0.0203(6) 0.0218(6) 0.0170(6) 0.0032(5) -0.0045(5) -0.0066(5) C5 0.0197(8) 0.0176(7) 0.0136(8) -0.0031(6) -0.0039(6) -0.0019(6) O5 0.0270(7) 0.0280(6) 0.0166(6) 0.0003(5) -0.0026(5) -0.0134(5) C6 0.0168(8) 0.0188(8) 0.0122(7) 0.0032(6) -0.0059(6) -0.0061(6) O6 0.0211(6) 0.0160(5) 0.0211(6) -0.0012(5) -0.0031(5) 0.0007(5) C1_1 0.0187(8) 0.0138(7) 0.0216(8) -0.0017(6) -0.0010(7) -0.0054(6) C2_1 0.0258(9) 0.0125(7) 0.0228(9) 0.0030(6) -0.0102(7) -0.0058(7) C3_1 0.0178(8) 0.0098(7) 0.0290(9) -0.0039(6) -0.0049(7) -0.0008(6) C4_1 0.0224(8) 0.0127(7) 0.0186(8) -0.0036(6) -0.0036(7) -0.0039(6) C5_1 0.0170(8) 0.0132(7) 0.0232(9) -0.0016(6) -0.0060(7) -0.0030(6) C6_1 0.0303(10) 0.0298(9) 0.0273(10) -0.0056(8) 0.0058(8) -0.0134(8) C7_1 0.0506(13) 0.0233(9) 0.0347(11) 0.0118(8) -0.0246(10) -0.0102(9) C8_1 0.0206(9) 0.0205(9) 0.0544(13) -0.0089(8) -0.0064(9) 0.0035(7) C9_1 0.0355(11) 0.0287(9) 0.0220(9) -0.0087(7) -0.0010(8) -0.0099(8) C10_1 0.0227(9) 0.0228(8) 0.0379(11) -0.0032(8) -0.0141(8) -0.0036(7) C1_2 0.0162(8) 0.0180(7) 0.0206(8) 0.0085(6) -0.0044(6) -0.0040(6) C2_2 0.0187(8) 0.0164(7) 0.0139(8) 0.0039(6) -0.0035(6) -0.0034(6) C3_2 0.0165(8) 0.0204(8) 0.0159(8) 0.0078(6) -0.0054(6) -0.0015(6) C4_2 0.0269(9) 0.0146(7) 0.0193(8) 0.0031(6) -0.0071(7) 0.0033(7) C5_2 0.0279(9) 0.0140(7) 0.0237(9) 0.0075(6) -0.0123(7) -0.0069(7) C6_2 0.0169(9) 0.0349(10) 0.0313(10) 0.0164(8) -0.0016(7) -0.0041(8) C7_2 0.0394(11) 0.0247(9) 0.0161(9) -0.0006(7) -0.0061(8) -0.0032(8) C8_2 0.0180(9) 0.0416(11) 0.0246(9) 0.0130(8) -0.0080(7) -0.0056(8) C9_2 0.0507(13) 0.0262(9) 0.0271(10) -0.0004(8) -0.0090(9) 0.0174(9) C10_2 0.0510(13) 0.0213(9) 0.0414(12) 0.0102(8) -0.0258(10) -0.0185(9) C1_3 0.0215(8) 0.0167(7) 0.0114(7) -0.0028(6) -0.0043(6) -0.0021(6) C2_3 0.0191(8) 0.0190(7) 0.0135(8) -0.0055(6) -0.0068(6) -0.0004(6) C3_3 0.0189(8) 0.0191(8) 0.0132(8) -0.0044(6) -0.0051(6) -0.0040(6) C4_3 0.0225(8) 0.0142(7) 0.0131(7) -0.0038(6) -0.0062(6) -0.0024(6) C5_3 0.0198(8) 0.0178(7) 0.0127(8) -0.0058(6) -0.0048(6) -0.0018(6) C6_3 0.0324(10) 0.0217(8) 0.0169(8) 0.0031(6) -0.0047(7) -0.0040(7) C7_3 0.0235(9) 0.0259(9) 0.0251(9) -0.0066(7) -0.0117(7) 0.0028(7) C8_3 0.0257(9) 0.0289(9) 0.0218(9) -0.0050(7) -0.0034(7) -0.0119(8) C9_3 0.0319(10) 0.0149(7) 0.0221(9) -0.0030(6) -0.0105(7) -0.0007(7) C10_3 0.0203(9) 0.0255(9) 0.0215(9) -0.0073(7) -0.0021(7) -0.0009(7) _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 C1 1.8457(17) . ? Rh1 B1 1.9186(17) . ? Rh1 C5_1 2.2427(15) . ? Rh1 C4_1 2.2685(15) . ? Rh1 C1_1 2.2778(15) . ? Rh1 C3_1 2.2824(15) . ? Rh1 C2_1 2.3050(15) . ? Rh1 Rh2 2.9160(3) . ? Rh2 C4 1.9722(16) . ? Rh2 C3 1.9931(16) . ? Rh2 C5 2.0209(16) . ? Rh2 B1 2.1055(17) . ? Rh2 Fe2 2.6034(3) . ? Rh2 Fe1 2.6196(3) . ? Fe1 C6 1.7758(16) . ? Fe1 C5 1.8972(16) . ? Fe1 C4 1.9153(15) . ? Fe1 C2_3 2.0963(15) . ? Fe1 C1_3 2.1025(15) . ? Fe1 C3_3 2.1216(15) . ? Fe1 C5_3 2.1280(15) . ? Fe1 C4_3 2.1457(15) . ? Fe2 C2 1.7559(16) . ? Fe2 B1 1.8824(17) . ? Fe2 C3 1.9531(16) . ? Fe2 C2_2 2.1038(15) . ? Fe2 C3_2 2.1059(15) . ? Fe2 C1_2 2.1172(16) . ? Fe2 C5_2 2.1279(15) . ? Fe2 C4_2 2.1347(15) . ? C1 O1 1.1534(19) . ? C2 O2 1.1496(19) . ? C3 O3 1.1776(19) . ? C4 O4 1.1772(18) . ? C5 O5 1.1706(19) . ? C6 O6 1.1468(19) . ? C1_1 C2_1 1.423(2) . ? C1_1 C5_1 1.437(2) . ? C1_1 C6_1 1.503(2) . ? C2_1 C3_1 1.426(2) . ? C2_1 C7_1 1.504(2) . ? C3_1 C4_1 1.429(2) . ? C3_1 C8_1 1.505(2) . ? C4_1 C5_1 1.428(2) . ? C4_1 C9_1 1.500(2) . ? C5_1 C10_1 1.507(2) . ? C6_1 H6A_1 0.9800 . ? C6_1 H6B_1 0.9800 . ? C6_1 H6C_1 0.9800 . ? C7_1 H7A_1 0.9800 . ? C7_1 H7B_1 0.9800 . ? C7_1 H7C_1 0.9800 . ? C8_1 H8A_1 0.9800 . ? C8_1 H8B_1 0.9800 . ? C8_1 H8C_1 0.9800 . ? C9_1 H9A_1 0.9800 . ? C9_1 H9B_1 0.9800 . ? C9_1 H9C_1 0.9800 . ? C10_1 H10A_1 0.9800 . ? C10_1 H10B_1 0.9800 . ? C10_1 H10C_1 0.9800 . ? C1_2 C2_2 1.426(2) . ? C1_2 C5_2 1.428(2) . ? C1_2 C6_2 1.502(2) . ? C2_2 C3_2 1.432(2) . ? C2_2 C7_2 1.500(2) . ? C3_2 C4_2 1.425(2) . ? C3_2 C8_2 1.501(2) . ? C4_2 C5_2 1.425(2) . ? C4_2 C9_2 1.504(2) . ? C5_2 C10_2 1.506(2) . ? C6_2 H6A_2 0.9800 . ? C6_2 H6B_2 0.9800 . ? C6_2 H6C_2 0.9800 . ? C7_2 H7A_2 0.9800 . ? C7_2 H7B_2 0.9800 . ? C7_2 H7C_2 0.9800 . ? C8_2 H8A_2 0.9800 . ? C8_2 H8B_2 0.9800 . ? C8_2 H8C_2 0.9800 . ? C9_2 H9A_2 0.9800 . ? C9_2 H9B_2 0.9800 . ? C9_2 H9C_2 0.9800 . ? C10_2 H10A_2 0.9800 . ? C10_2 H10B_2 0.9800 . ? C10_2 H10C_2 0.9800 . ? C1_3 C5_3 1.428(2) . ? C1_3 C2_3 1.434(2) . ? C1_3 C6_3 1.497(2) . ? C2_3 C3_3 1.430(2) . ? C2_3 C7_3 1.500(2) . ? C3_3 C4_3 1.432(2) . ? C3_3 C8_3 1.495(2) . ? C4_3 C5_3 1.423(2) . ? C4_3 C9_3 1.496(2) . ? C5_3 C10_3 1.499(2) . ? C6_3 H6A_3 0.9800 . ? C6_3 H6B_3 0.9800 . ? C6_3 H6C_3 0.9800 . ? C7_3 H7A_3 0.9800 . ? C7_3 H7B_3 0.9800 . ? C7_3 H7C_3 0.9800 . ? C8_3 H8A_3 0.9800 . ? C8_3 H8B_3 0.9800 . ? C8_3 H8C_3 0.9800 . ? C9_3 H9A_3 0.9800 . ? C9_3 H9B_3 0.9800 . ? C9_3 H9C_3 0.9800 . ? C10_3 H10A_3 0.9800 . ? C10_3 H10B_3 0.9800 . ? C10_3 H10C_3 0.9800 . ? 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 C1 Rh1 B1 89.47(7) . . ? C1 Rh1 C5_1 155.94(6) . . ? B1 Rh1 C5_1 102.27(7) . . ? C1 Rh1 C4_1 119.83(6) . . ? B1 Rh1 C4_1 126.13(7) . . ? C5_1 Rh1 C4_1 36.90(6) . . ? C1 Rh1 C1_1 154.18(6) . . ? B1 Rh1 C1_1 110.64(7) . . ? C5_1 Rh1 C1_1 37.07(6) . . ? C4_1 Rh1 C1_1 61.44(6) . . ? C1 Rh1 C3_1 103.85(6) . . ? B1 Rh1 C3_1 162.24(7) . . ? C5_1 Rh1 C3_1 61.12(6) . . ? C4_1 Rh1 C3_1 36.59(6) . . ? C1_1 Rh1 C3_1 60.71(6) . . ? C1 Rh1 C2_1 119.14(6) . . ? B1 Rh1 C2_1 143.57(7) . . ? C5_1 Rh1 C2_1 61.03(6) . . ? C4_1 Rh1 C2_1 60.92(6) . . ? C1_1 Rh1 C2_1 36.17(6) . . ? C3_1 Rh1 C2_1 36.21(6) . . ? C1 Rh1 Rh2 72.89(5) . . ? B1 Rh1 Rh2 46.16(5) . . ? C5_1 Rh1 Rh2 130.01(4) . . ? C4_1 Rh1 Rh2 166.81(4) . . ? C1_1 Rh1 Rh2 109.01(4) . . ? C3_1 Rh1 Rh2 149.11(4) . . ? C2_1 Rh1 Rh2 117.63(4) . . ? C4 Rh2 C3 97.99(6) . . ? C4 Rh2 C5 92.78(6) . . ? C3 Rh2 C5 111.78(6) . . ? C4 Rh2 B1 127.59(6) . . ? C3 Rh2 B1 93.31(7) . . ? C5 Rh2 B1 129.41(6) . . ? C4 Rh2 Fe2 119.06(4) . . ? C3 Rh2 Fe2 48.06(5) . . ? C5 Rh2 Fe2 142.08(5) . . ? B1 Rh2 Fe2 45.62(5) . . ? C4 Rh2 Fe1 46.72(4) . . ? C3 Rh2 Fe1 111.78(5) . . ? C5 Rh2 Fe1 46.06(5) . . ? B1 Rh2 Fe1 154.46(5) . . ? Fe2 Rh2 Fe1 157.706(8) . . ? C4 Rh2 Rh1 115.87(4) . . ? C3 Rh2 Rh1 133.58(5) . . ? C5 Rh2 Rh1 97.96(4) . . ? B1 Rh2 Rh1 41.09(5) . . ? Fe2 Rh2 Rh1 86.662(8) . . ? Fe1 Rh2 Rh1 114.519(7) . . ? C6 Fe1 C5 89.92(7) . . ? C6 Fe1 C4 94.36(7) . . ? C5 Fe1 C4 98.65(7) . . ? C6 Fe1 C2_3 91.03(6) . . ? C5 Fe1 C2_3 133.15(7) . . ? C4 Fe1 C2_3 127.94(7) . . ? C6 Fe1 C1_3 107.92(6) . . ? C5 Fe1 C1_3 96.03(6) . . ? C4 Fe1 C1_3 153.26(6) . . ? C2_3 Fe1 C1_3 39.93(6) . . ? C6 Fe1 C3_3 112.12(7) . . ? C5 Fe1 C3_3 154.89(6) . . ? C4 Fe1 C3_3 91.75(6) . . ? C2_3 Fe1 C3_3 39.64(6) . . ? C1_3 Fe1 C3_3 66.56(6) . . ? C6 Fe1 C5_3 146.90(6) . . ? C5 Fe1 C5_3 89.03(6) . . ? C4 Fe1 C5_3 118.49(6) . . ? C2_3 Fe1 C5_3 66.38(6) . . ? C1_3 Fe1 C5_3 39.46(6) . . ? C3_3 Fe1 C5_3 65.98(6) . . ? C6 Fe1 C4_3 151.33(7) . . ? C5 Fe1 C4_3 118.13(6) . . ? C4 Fe1 C4_3 87.48(6) . . ? C2_3 Fe1 C4_3 66.01(6) . . ? C1_3 Fe1 C4_3 65.87(6) . . ? C3_3 Fe1 C4_3 39.22(6) . . ? C5_3 Fe1 C4_3 38.90(6) . . ? C6 Fe1 Rh2 93.29(5) . . ? C5 Fe1 Rh2 50.09(5) . . ? C4 Fe1 Rh2 48.56(5) . . ? C2_3 Fe1 Rh2 174.65(4) . . ? C1_3 Fe1 Rh2 140.60(5) . . ? C3_3 Fe1 Rh2 135.28(4) . . ? C5_3 Fe1 Rh2 110.96(4) . . ? C4_3 Fe1 Rh2 108.90(4) . . ? C2 Fe2 B1 84.30(7) . . ? C2 Fe2 C3 92.07(7) . . ? B1 Fe2 C3 102.02(7) . . ? C2 Fe2 C2_2 111.86(7) . . ? B1 Fe2 C2_2 91.83(7) . . ? C3 Fe2 C2_2 153.53(6) . . ? C2 Fe2 C3_2 93.58(7) . . ? B1 Fe2 C3_2 126.26(7) . . ? C3 Fe2 C3_2 131.70(6) . . ? C2_2 Fe2 C3_2 39.77(6) . . ? C2 Fe2 C1_2 150.99(7) . . ? B1 Fe2 C1_2 91.18(7) . . ? C3 Fe2 C1_2 116.86(6) . . ? C2_2 Fe2 C1_2 39.49(6) . . ? C3_2 Fe2 C1_2 66.24(6) . . ? C2 Fe2 C5_2 150.57(7) . . ? B1 Fe2 C5_2 124.53(7) . . ? C3 Fe2 C5_2 87.66(6) . . ? C2_2 Fe2 C5_2 65.97(6) . . ? C3_2 Fe2 C5_2 65.63(6) . . ? C1_2 Fe2 C5_2 39.31(6) . . ? C2 Fe2 C4_2 111.85(7) . . ? B1 Fe2 C4_2 156.22(7) . . ? C3 Fe2 C4_2 94.94(6) . . ? C2_2 Fe2 C4_2 66.37(6) . . ? C3_2 Fe2 C4_2 39.28(6) . . ? C1_2 Fe2 C4_2 66.12(6) . . ? C5_2 Fe2 C4_2 39.05(7) . . ? C2 Fe2 Rh2 92.87(5) . . ? B1 Fe2 Rh2 53.08(5) . . ? C3 Fe2 Rh2 49.39(5) . . ? C2_2 Fe2 Rh2 135.49(4) . . ? C3_2 Fe2 Rh2 173.39(4) . . ? C1_2 Fe2 Rh2 107.22(4) . . ? C5_2 Fe2 Rh2 108.85(5) . . ? C4_2 Fe2 Rh2 138.26(5) . . ? Fe2 B1 Rh1 173.16(10) . . ? Fe2 B1 Rh2 81.30(6) . . ? Rh1 B1 Rh2 92.76(7) . . ? O1 C1 Rh1 174.53(14) . . ? O2 C2 Fe2 178.12(14) . . ? O3 C3 Fe2 138.78(13) . . ? O3 C3 Rh2 138.61(13) . . ? Fe2 C3 Rh2 82.55(6) . . ? O4 C4 Fe1 143.55(13) . . ? O4 C4 Rh2 131.74(12) . . ? Fe1 C4 Rh2 84.72(6) . . ? O5 C5 Fe1 145.84(13) . . ? O5 C5 Rh2 130.07(13) . . ? Fe1 C5 Rh2 83.85(6) . . ? O6 C6 Fe1 177.55(14) . . ? C2_1 C1_1 C5_1 107.72(14) . . ? C2_1 C1_1 C6_1 125.87(16) . . ? C5_1 C1_1 C6_1 125.92(15) . . ? C2_1 C1_1 Rh1 72.95(9) . . ? C5_1 C1_1 Rh1 70.14(9) . . ? C6_1 C1_1 Rh1 128.65(11) . . ? C1_1 C2_1 C3_1 108.00(14) . . ? C1_1 C2_1 C7_1 125.07(16) . . ? C3_1 C2_1 C7_1 126.78(16) . . ? C1_1 C2_1 Rh1 70.87(9) . . ? C3_1 C2_1 Rh1 71.03(9) . . ? C7_1 C2_1 Rh1 127.15(11) . . ? C2_1 C3_1 C4_1 108.65(14) . . ? C2_1 C3_1 C8_1 125.90(16) . . ? C4_1 C3_1 C8_1 125.39(16) . . ? C2_1 C3_1 Rh1 72.76(9) . . ? C4_1 C3_1 Rh1 71.18(9) . . ? C8_1 C3_1 Rh1 124.26(11) . . ? C5_1 C4_1 C3_1 107.31(14) . . ? C5_1 C4_1 C9_1 126.43(15) . . ? C3_1 C4_1 C9_1 126.07(15) . . ? C5_1 C4_1 Rh1 70.57(9) . . ? C3_1 C4_1 Rh1 72.23(9) . . ? C9_1 C4_1 Rh1 126.40(11) . . ? C4_1 C5_1 C1_1 108.29(14) . . ? C4_1 C5_1 C10_1 125.89(15) . . ? C1_1 C5_1 C10_1 125.36(15) . . ? C4_1 C5_1 Rh1 72.53(9) . . ? C1_1 C5_1 Rh1 72.79(9) . . ? C10_1 C5_1 Rh1 126.63(11) . . ? C1_1 C6_1 H6A_1 109.5 . . ? C1_1 C6_1 H6B_1 109.5 . . ? H6A_1 C6_1 H6B_1 109.5 . . ? C1_1 C6_1 H6C_1 109.5 . . ? H6A_1 C6_1 H6C_1 109.5 . . ? H6B_1 C6_1 H6C_1 109.5 . . ? C2_1 C7_1 H7A_1 109.5 . . ? C2_1 C7_1 H7B_1 109.5 . . ? H7A_1 C7_1 H7B_1 109.5 . . ? C2_1 C7_1 H7C_1 109.5 . . ? H7A_1 C7_1 H7C_1 109.5 . . ? H7B_1 C7_1 H7C_1 109.5 . . ? C3_1 C8_1 H8A_1 109.5 . . ? C3_1 C8_1 H8B_1 109.5 . . ? H8A_1 C8_1 H8B_1 109.5 . . ? C3_1 C8_1 H8C_1 109.5 . . ? H8A_1 C8_1 H8C_1 109.5 . . ? H8B_1 C8_1 H8C_1 109.5 . . ? C4_1 C9_1 H9A_1 109.5 . . ? C4_1 C9_1 H9B_1 109.5 . . ? H9A_1 C9_1 H9B_1 109.5 . . ? C4_1 C9_1 H9C_1 109.5 . . ? H9A_1 C9_1 H9C_1 109.5 . . ? H9B_1 C9_1 H9C_1 109.5 . . ? C5_1 C10_1 H10A_1 109.5 . . ? C5_1 C10_1 H10B_1 109.5 . . ? H10A_1 C10_1 H10B_1 109.5 . . ? C5_1 C10_1 H10C_1 109.5 . . ? H10A_1 C10_1 H10C_1 109.5 . . ? H10B_1 C10_1 H10C_1 109.5 . . ? C2_2 C1_2 C5_2 107.67(14) . . ? C2_2 C1_2 C6_2 125.95(16) . . ? C5_2 C1_2 C6_2 126.25(15) . . ? C2_2 C1_2 Fe2 69.75(9) . . ? C5_2 C1_2 Fe2 70.75(9) . . ? C6_2 C1_2 Fe2 128.11(11) . . ? C1_2 C2_2 C3_2 107.70(14) . . ? C1_2 C2_2 C7_2 126.20(15) . . ? C3_2 C2_2 C7_2 125.93(15) . . ? C1_2 C2_2 Fe2 70.77(9) . . ? C3_2 C2_2 Fe2 70.19(9) . . ? C7_2 C2_2 Fe2 128.22(11) . . ? C4_2 C3_2 C2_2 108.57(14) . . ? C4_2 C3_2 C8_2 126.68(15) . . ? C2_2 C3_2 C8_2 124.59(15) . . ? C4_2 C3_2 Fe2 71.45(9) . . ? C2_2 C3_2 Fe2 70.03(9) . . ? C8_2 C3_2 Fe2 127.90(11) . . ? C5_2 C4_2 C3_2 107.24(14) . . ? C5_2 C4_2 C9_2 125.61(16) . . ? C3_2 C4_2 C9_2 127.13(16) . . ? C5_2 C4_2 Fe2 70.22(9) . . ? C3_2 C4_2 Fe2 69.27(9) . . ? C9_2 C4_2 Fe2 126.91(12) . . ? C4_2 C5_2 C1_2 108.81(14) . . ? C4_2 C5_2 C10_2 125.09(16) . . ? C1_2 C5_2 C10_2 125.85(16) . . ? C4_2 C5_2 Fe2 70.73(9) . . ? C1_2 C5_2 Fe2 69.94(9) . . ? C10_2 C5_2 Fe2 129.75(12) . . ? C1_2 C6_2 H6A_2 109.5 . . ? C1_2 C6_2 H6B_2 109.5 . . ? H6A_2 C6_2 H6B_2 109.5 . . ? C1_2 C6_2 H6C_2 109.5 . . ? H6A_2 C6_2 H6C_2 109.5 . . ? H6B_2 C6_2 H6C_2 109.5 . . ? C2_2 C7_2 H7A_2 109.5 . . ? C2_2 C7_2 H7B_2 109.5 . . ? H7A_2 C7_2 H7B_2 109.5 . . ? C2_2 C7_2 H7C_2 109.5 . . ? H7A_2 C7_2 H7C_2 109.5 . . ? H7B_2 C7_2 H7C_2 109.5 . . ? C3_2 C8_2 H8A_2 109.5 . . ? C3_2 C8_2 H8B_2 109.5 . . ? H8A_2 C8_2 H8B_2 109.5 . . ? C3_2 C8_2 H8C_2 109.5 . . ? H8A_2 C8_2 H8C_2 109.5 . . ? H8B_2 C8_2 H8C_2 109.5 . . ? C4_2 C9_2 H9A_2 109.5 . . ? C4_2 C9_2 H9B_2 109.5 . . ? H9A_2 C9_2 H9B_2 109.5 . . ? C4_2 C9_2 H9C_2 109.5 . . ? H9A_2 C9_2 H9C_2 109.5 . . ? H9B_2 C9_2 H9C_2 109.5 . . ? C5_2 C10_2 H10A_2 109.5 . . ? C5_2 C10_2 H10B_2 109.5 . . ? H10A_2 C10_2 H10B_2 109.5 . . ? C5_2 C10_2 H10C_2 109.5 . . ? H10A_2 C10_2 H10C_2 109.5 . . ? H10B_2 C10_2 H10C_2 109.5 . . ? C5_3 C1_3 C2_3 107.79(13) . . ? C5_3 C1_3 C6_3 125.36(15) . . ? C2_3 C1_3 C6_3 126.61(15) . . ? C5_3 C1_3 Fe1 71.23(9) . . ? C2_3 C1_3 Fe1 69.80(9) . . ? C6_3 C1_3 Fe1 128.74(11) . . ? C3_3 C2_3 C1_3 108.07(14) . . ? C3_3 C2_3 C7_3 124.90(15) . . ? C1_3 C2_3 C7_3 126.89(15) . . ? C3_3 C2_3 Fe1 71.14(9) . . ? C1_3 C2_3 Fe1 70.27(9) . . ? C7_3 C2_3 Fe1 127.56(11) . . ? C2_3 C3_3 C4_3 107.68(14) . . ? C2_3 C3_3 C8_3 126.66(15) . . ? C4_3 C3_3 C8_3 125.38(15) . . ? C2_3 C3_3 Fe1 69.23(9) . . ? C4_3 C3_3 Fe1 71.30(9) . . ? C8_3 C3_3 Fe1 129.65(11) . . ? C5_3 C4_3 C3_3 108.25(13) . . ? C5_3 C4_3 C9_3 127.04(15) . . ? C3_3 C4_3 C9_3 124.54(15) . . ? C5_3 C4_3 Fe1 69.88(8) . . ? C3_3 C4_3 Fe1 69.48(9) . . ? C9_3 C4_3 Fe1 129.99(11) . . ? C4_3 C5_3 C1_3 108.20(14) . . ? C4_3 C5_3 C10_3 126.10(14) . . ? C1_3 C5_3 C10_3 125.61(14) . . ? C4_3 C5_3 Fe1 71.22(9) . . ? C1_3 C5_3 Fe1 69.31(9) . . ? C10_3 C5_3 Fe1 127.76(11) . . ? C1_3 C6_3 H6A_3 109.5 . . ? C1_3 C6_3 H6B_3 109.5 . . ? H6A_3 C6_3 H6B_3 109.5 . . ? C1_3 C6_3 H6C_3 109.5 . . ? H6A_3 C6_3 H6C_3 109.5 . . ? H6B_3 C6_3 H6C_3 109.5 . . ? C2_3 C7_3 H7A_3 109.5 . . ? C2_3 C7_3 H7B_3 109.5 . . ? H7A_3 C7_3 H7B_3 109.5 . . ? C2_3 C7_3 H7C_3 109.5 . . ? H7A_3 C7_3 H7C_3 109.5 . . ? H7B_3 C7_3 H7C_3 109.5 . . ? C3_3 C8_3 H8A_3 109.5 . . ? C3_3 C8_3 H8B_3 109.5 . . ? H8A_3 C8_3 H8B_3 109.5 . . ? C3_3 C8_3 H8C_3 109.5 . . ? H8A_3 C8_3 H8C_3 109.5 . . ? H8B_3 C8_3 H8C_3 109.5 . . ? C4_3 C9_3 H9A_3 109.5 . . ? C4_3 C9_3 H9B_3 109.5 . . ? H9A_3 C9_3 H9B_3 109.5 . . ? C4_3 C9_3 H9C_3 109.5 . . ? H9A_3 C9_3 H9C_3 109.5 . . ? H9B_3 C9_3 H9C_3 109.5 . . ? C5_3 C10_3 H10A_3 109.5 . . ? C5_3 C10_3 H10B_3 109.5 . . ? H10A_3 C10_3 H10B_3 109.5 . . ? C5_3 C10_3 H10C_3 109.5 . . ? H10A_3 C10_3 H10C_3 109.5 . . ? H10B_3 C10_3 H10C_3 109.5 . . ? 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 C1 Rh1 Rh2 C4 11.99(7) . . . . ? B1 Rh1 Rh2 C4 118.38(9) . . . . ? C5_1 Rh1 Rh2 C4 -176.55(7) . . . . ? C4_1 Rh1 Rh2 C4 177.36(18) . . . . ? C1_1 Rh1 Rh2 C4 -140.90(7) . . . . ? C3_1 Rh1 Rh2 C4 -76.49(9) . . . . ? C2_1 Rh1 Rh2 C4 -102.47(7) . . . . ? C1 Rh1 Rh2 C3 -120.44(8) . . . . ? B1 Rh1 Rh2 C3 -14.04(9) . . . . ? C5_1 Rh1 Rh2 C3 51.03(8) . . . . ? C4_1 Rh1 Rh2 C3 44.93(19) . . . . ? C1_1 Rh1 Rh2 C3 86.67(8) . . . . ? C3_1 Rh1 Rh2 C3 151.08(10) . . . . ? C2_1 Rh1 Rh2 C3 125.10(8) . . . . ? C1 Rh1 Rh2 C5 109.01(7) . . . . ? B1 Rh1 Rh2 C5 -144.60(8) . . . . ? C5_1 Rh1 Rh2 C5 -79.53(7) . . . . ? C4_1 Rh1 Rh2 C5 -85.62(18) . . . . ? C1_1 Rh1 Rh2 C5 -43.88(6) . . . . ? C3_1 Rh1 Rh2 C5 20.53(9) . . . . ? C2_1 Rh1 Rh2 C5 -5.45(7) . . . . ? C1 Rh1 Rh2 B1 -106.39(9) . . . . ? C5_1 Rh1 Rh2 B1 65.07(9) . . . . ? C4_1 Rh1 Rh2 B1 58.98(19) . . . . ? C1_1 Rh1 Rh2 B1 100.72(8) . . . . ? C3_1 Rh1 Rh2 B1 165.13(11) . . . . ? C2_1 Rh1 Rh2 B1 139.15(8) . . . . ? C1 Rh1 Rh2 Fe2 -108.84(5) . . . . ? B1 Rh1 Rh2 Fe2 -2.44(7) . . . . ? C5_1 Rh1 Rh2 Fe2 62.63(5) . . . . ? C4_1 Rh1 Rh2 Fe2 56.54(18) . . . . ? C1_1 Rh1 Rh2 Fe2 98.27(5) . . . . ? C3_1 Rh1 Rh2 Fe2 162.69(8) . . . . ? C2_1 Rh1 Rh2 Fe2 136.71(5) . . . . ? C1 Rh1 Rh2 Fe1 63.95(5) . . . . ? B1 Rh1 Rh2 Fe1 170.34(7) . . . . ? C5_1 Rh1 Rh2 Fe1 -124.59(5) . . . . ? C4_1 Rh1 Rh2 Fe1 -130.68(18) . . . . ? C1_1 Rh1 Rh2 Fe1 -88.94(5) . . . . ? C3_1 Rh1 Rh2 Fe1 -24.53(8) . . . . ? C2_1 Rh1 Rh2 Fe1 -50.51(5) . . . . ? C4 Rh2 Fe1 C6 92.91(8) . . . . ? C3 Rh2 Fe1 C6 173.08(7) . . . . ? C5 Rh2 Fe1 C6 -87.14(8) . . . . ? B1 Rh2 Fe1 C6 4.48(12) . . . . ? Fe2 Rh2 Fe1 C6 150.35(5) . . . . ? Rh1 Rh2 Fe1 C6 -10.34(5) . . . . ? C4 Rh2 Fe1 C5 -179.95(8) . . . . ? C3 Rh2 Fe1 C5 -99.78(8) . . . . ? B1 Rh2 Fe1 C5 91.62(12) . . . . ? Fe2 Rh2 Fe1 C5 -122.50(6) . . . . ? Rh1 Rh2 Fe1 C5 76.80(6) . . . . ? C3 Rh2 Fe1 C4 80.17(8) . . . . ? C5 Rh2 Fe1 C4 179.95(8) . . . . ? B1 Rh2 Fe1 C4 -88.43(12) . . . . ? Fe2 Rh2 Fe1 C4 57.44(6) . . . . ? Rh1 Rh2 Fe1 C4 -103.25(6) . . . . ? C4 Rh2 Fe1 C1_3 -143.33(9) . . . . ? C3 Rh2 Fe1 C1_3 -63.16(8) . . . . ? C5 Rh2 Fe1 C1_3 36.61(9) . . . . ? B1 Rh2 Fe1 C1_3 128.24(12) . . . . ? Fe2 Rh2 Fe1 C1_3 -85.89(7) . . . . ? Rh1 Rh2 Fe1 C1_3 113.42(7) . . . . ? C4 Rh2 Fe1 C3_3 -33.53(9) . . . . ? C3 Rh2 Fe1 C3_3 46.64(8) . . . . ? C5 Rh2 Fe1 C3_3 146.42(9) . . . . ? B1 Rh2 Fe1 C3_3 -121.96(12) . . . . ? Fe2 Rh2 Fe1 C3_3 23.91(7) . . . . ? Rh1 Rh2 Fe1 C3_3 -136.78(6) . . . . ? C4 Rh2 Fe1 C5_3 -110.07(7) . . . . ? C3 Rh2 Fe1 C5_3 -29.91(7) . . . . ? C5 Rh2 Fe1 C5_3 69.87(8) . . . . ? B1 Rh2 Fe1 C5_3 161.49(11) . . . . ? Fe2 Rh2 Fe1 C5_3 -52.63(5) . . . . ? Rh1 Rh2 Fe1 C5_3 146.68(5) . . . . ? C4 Rh2 Fe1 C4_3 -68.64(7) . . . . ? C3 Rh2 Fe1 C4_3 11.53(7) . . . . ? C5 Rh2 Fe1 C4_3 111.31(8) . . . . ? B1 Rh2 Fe1 C4_3 -157.07(11) . . . . ? Fe2 Rh2 Fe1 C4_3 -11.20(5) . . . . ? Rh1 Rh2 Fe1 C4_3 -171.89(5) . . . . ? C4 Rh2 Fe2 C2 163.69(7) . . . . ? C3 Rh2 Fe2 C2 90.27(8) . . . . ? C5 Rh2 Fe2 C2 20.24(9) . . . . ? B1 Rh2 Fe2 C2 -80.68(8) . . . . ? Fe1 Rh2 Fe2 C2 119.10(5) . . . . ? Rh1 Rh2 Fe2 C2 -78.43(5) . . . . ? C4 Rh2 Fe2 B1 -115.63(8) . . . . ? C3 Rh2 Fe2 B1 170.95(9) . . . . ? C5 Rh2 Fe2 B1 100.91(10) . . . . ? Fe1 Rh2 Fe2 B1 -160.22(7) . . . . ? Rh1 Rh2 Fe2 B1 2.25(6) . . . . ? C4 Rh2 Fe2 C3 73.42(8) . . . . ? C5 Rh2 Fe2 C3 -70.04(9) . . . . ? B1 Rh2 Fe2 C3 -170.95(9) . . . . ? Fe1 Rh2 Fe2 C3 28.83(6) . . . . ? Rh1 Rh2 Fe2 C3 -168.71(6) . . . . ? C4 Rh2 Fe2 C2_2 -70.67(8) . . . . ? C3 Rh2 Fe2 C2_2 -144.08(9) . . . . ? C5 Rh2 Fe2 C2_2 145.88(9) . . . . ? B1 Rh2 Fe2 C2_2 44.96(9) . . . . ? Fe1 Rh2 Fe2 C2_2 -115.25(6) . . . . ? Rh1 Rh2 Fe2 C2_2 47.21(6) . . . . ? C4 Rh2 Fe2 C1_2 -37.52(7) . . . . ? C3 Rh2 Fe2 C1_2 -110.93(8) . . . . ? C5 Rh2 Fe2 C1_2 179.03(8) . . . . ? B1 Rh2 Fe2 C1_2 78.11(8) . . . . ? Fe1 Rh2 Fe2 C1_2 -82.10(5) . . . . ? Rh1 Rh2 Fe2 C1_2 80.36(5) . . . . ? C4 Rh2 Fe2 C5_2 3.88(7) . . . . ? C3 Rh2 Fe2 C5_2 -69.54(8) . . . . ? C5 Rh2 Fe2 C5_2 -139.58(9) . . . . ? B1 Rh2 Fe2 C5_2 119.51(8) . . . . ? Fe1 Rh2 Fe2 C5_2 -40.71(6) . . . . ? Rh1 Rh2 Fe2 C5_2 121.76(5) . . . . ? C4 Rh2 Fe2 C4_2 35.67(9) . . . . ? C3 Rh2 Fe2 C4_2 -37.75(9) . . . . ? C5 Rh2 Fe2 C4_2 -107.78(10) . . . . ? B1 Rh2 Fe2 C4_2 151.30(10) . . . . ? Fe1 Rh2 Fe2 C4_2 -8.91(8) . . . . ? Rh1 Rh2 Fe2 C4_2 153.55(7) . . . . ? C2 Fe2 B1 Rh2 97.92(6) . . . . ? C3 Fe2 B1 Rh2 7.01(7) . . . . ? C2_2 Fe2 B1 Rh2 -150.29(6) . . . . ? C3_2 Fe2 B1 Rh2 -171.81(5) . . . . ? C1_2 Fe2 B1 Rh2 -110.79(6) . . . . ? C5_2 Fe2 B1 Rh2 -88.49(8) . . . . ? C4_2 Fe2 B1 Rh2 -127.55(16) . . . . ? C1 Rh1 B1 Rh2 66.48(7) . . . . ? C5_1 Rh1 B1 Rh2 -134.70(6) . . . . ? C4_1 Rh1 B1 Rh2 -165.99(5) . . . . ? C1_1 Rh1 B1 Rh2 -96.95(7) . . . . ? C3_1 Rh1 B1 Rh2 -154.41(18) . . . . ? C2_1 Rh1 B1 Rh2 -77.38(12) . . . . ? C4 Rh2 B1 Fe2 95.99(8) . . . . ? C3 Rh2 B1 Fe2 -6.73(7) . . . . ? C5 Rh2 B1 Fe2 -128.64(7) . . . . ? Fe1 Rh2 B1 Fe2 162.68(6) . . . . ? Rh1 Rh2 B1 Fe2 -176.59(10) . . . . ? C4 Rh2 B1 Rh1 -87.43(8) . . . . ? C3 Rh2 B1 Rh1 169.86(7) . . . . ? C5 Rh2 B1 Rh1 47.95(10) . . . . ? Fe2 Rh2 B1 Rh1 176.59(10) . . . . ? Fe1 Rh2 B1 Rh1 -20.74(15) . . . . ? C2 Fe2 C3 O3 85.35(19) . . . . ? B1 Fe2 C3 O3 169.96(19) . . . . ? C2_2 Fe2 C3 O3 -70.0(3) . . . . ? C3_2 Fe2 C3 O3 -11.3(2) . . . . ? C1_2 Fe2 C3 O3 -92.5(2) . . . . ? C5_2 Fe2 C3 O3 -65.20(19) . . . . ? C4_2 Fe2 C3 O3 -26.8(2) . . . . ? Rh2 Fe2 C3 O3 177.3(2) . . . . ? C2 Fe2 C3 Rh2 -92.00(6) . . . . ? B1 Fe2 C3 Rh2 -7.39(7) . . . . ? C2_2 Fe2 C3 Rh2 112.67(13) . . . . ? C3_2 Fe2 C3 Rh2 171.34(6) . . . . ? C1_2 Fe2 C3 Rh2 90.17(7) . . . . ? C5_2 Fe2 C3 Rh2 117.45(6) . . . . ? C4_2 Fe2 C3 Rh2 155.85(6) . . . . ? C4 Rh2 C3 O3 60.42(19) . . . . ? C5 Rh2 C3 O3 -35.8(2) . . . . ? B1 Rh2 C3 O3 -170.89(19) . . . . ? Fe2 Rh2 C3 O3 -177.4(2) . . . . ? Fe1 Rh2 C3 O3 14.0(2) . . . . ? Rh1 Rh2 C3 O3 -161.70(15) . . . . ? C4 Rh2 C3 Fe2 -122.22(6) . . . . ? C5 Rh2 C3 Fe2 141.53(6) . . . . ? B1 Rh2 C3 Fe2 6.46(6) . . . . ? Fe1 Rh2 C3 Fe2 -168.64(2) . . . . ? Rh1 Rh2 C3 Fe2 15.66(8) . . . . ? C6 Fe1 C4 O4 89.0(2) . . . . ? C5 Fe1 C4 O4 179.6(2) . . . . ? C2_3 Fe1 C4 O4 -5.7(2) . . . . ? C1_3 Fe1 C4 O4 -57.9(3) . . . . ? C3_3 Fe1 C4 O4 -23.4(2) . . . . ? C5_3 Fe1 C4 O4 -86.8(2) . . . . ? C4_3 Fe1 C4 O4 -62.4(2) . . . . ? Rh2 Fe1 C4 O4 179.5(2) . . . . ? C6 Fe1 C4 Rh2 -90.55(6) . . . . ? C5 Fe1 C4 Rh2 0.04(6) . . . . ? C2_3 Fe1 C4 Rh2 174.74(6) . . . . ? C1_3 Fe1 C4 Rh2 122.60(13) . . . . ? C3_3 Fe1 C4 Rh2 157.11(6) . . . . ? C5_3 Fe1 C4 Rh2 93.66(7) . . . . ? C4_3 Fe1 C4 Rh2 118.12(6) . . . . ? C3 Rh2 C4 O4 67.89(16) . . . . ? C5 Rh2 C4 O4 -179.66(16) . . . . ? B1 Rh2 C4 O4 -32.57(19) . . . . ? Fe2 Rh2 C4 O4 21.84(17) . . . . ? Fe1 Rh2 C4 O4 -179.62(19) . . . . ? Rh1 Rh2 C4 O4 -79.43(16) . . . . ? C3 Rh2 C4 Fe1 -112.49(6) . . . . ? C5 Rh2 C4 Fe1 -0.04(6) . . . . ? B1 Rh2 C4 Fe1 147.05(6) . . . . ? Fe2 Rh2 C4 Fe1 -158.54(2) . . . . ? Rh1 Rh2 C4 Fe1 100.19(4) . . . . ? C6 Fe1 C5 O5 -91.7(2) . . . . ? C4 Fe1 C5 O5 173.9(2) . . . . ? C2_3 Fe1 C5 O5 -0.4(3) . . . . ? C1_3 Fe1 C5 O5 16.3(2) . . . . ? C3_3 Fe1 C5 O5 60.5(3) . . . . ? C5_3 Fe1 C5 O5 55.2(2) . . . . ? C4_3 Fe1 C5 O5 82.1(2) . . . . ? Rh2 Fe1 C5 O5 173.9(3) . . . . ? C6 Fe1 C5 Rh2 94.36(6) . . . . ? C4 Fe1 C5 Rh2 -0.04(6) . . . . ? C2_3 Fe1 C5 Rh2 -174.30(6) . . . . ? C1_3 Fe1 C5 Rh2 -157.63(6) . . . . ? C3_3 Fe1 C5 Rh2 -113.46(14) . . . . ? C5_3 Fe1 C5 Rh2 -118.73(6) . . . . ? C4_3 Fe1 C5 Rh2 -91.81(7) . . . . ? C4 Rh2 C5 O5 -175.51(16) . . . . ? C3 Rh2 C5 O5 -75.76(17) . . . . ? B1 Rh2 C5 O5 38.36(19) . . . . ? Fe2 Rh2 C5 O5 -26.9(2) . . . . ? Fe1 Rh2 C5 O5 -175.55(19) . . . . ? Rh1 Rh2 C5 O5 67.89(16) . . . . ? C4 Rh2 C5 Fe1 0.04(6) . . . . ? C3 Rh2 C5 Fe1 99.78(7) . . . . ? B1 Rh2 C5 Fe1 -146.09(7) . . . . ? Fe2 Rh2 C5 Fe1 148.63(3) . . . . ? Rh1 Rh2 C5 Fe1 -116.57(4) . . . . ? C1 Rh1 C1_1 C2_1 21.21(19) . . . . ? B1 Rh1 C1_1 C2_1 160.31(10) . . . . ? C5_1 Rh1 C1_1 C2_1 -116.70(13) . . . . ? C4_1 Rh1 C1_1 C2_1 -78.87(10) . . . . ? C3_1 Rh1 C1_1 C2_1 -36.84(9) . . . . ? Rh2 Rh1 C1_1 C2_1 111.09(9) . . . . ? C1 Rh1 C1_1 C5_1 137.91(14) . . . . ? B1 Rh1 C1_1 C5_1 -82.99(10) . . . . ? C4_1 Rh1 C1_1 C5_1 37.83(9) . . . . ? C3_1 Rh1 C1_1 C5_1 79.86(10) . . . . ? C2_1 Rh1 C1_1 C5_1 116.70(13) . . . . ? Rh2 Rh1 C1_1 C5_1 -132.22(8) . . . . ? C1 Rh1 C1_1 C6_1 -101.4(2) . . . . ? B1 Rh1 C1_1 C6_1 37.66(17) . . . . ? C5_1 Rh1 C1_1 C6_1 120.65(19) . . . . ? C4_1 Rh1 C1_1 C6_1 158.48(18) . . . . ? C3_1 Rh1 C1_1 C6_1 -159.49(18) . . . . ? C2_1 Rh1 C1_1 C6_1 -122.7(2) . . . . ? Rh2 Rh1 C1_1 C6_1 -11.57(17) . . . . ? C5_1 C1_1 C2_1 C3_1 -0.22(17) . . . . ? C6_1 C1_1 C2_1 C3_1 -172.55(15) . . . . ? Rh1 C1_1 C2_1 C3_1 61.68(11) . . . . ? C5_1 C1_1 C2_1 C7_1 175.59(15) . . . . ? C6_1 C1_1 C2_1 C7_1 3.3(3) . . . . ? Rh1 C1_1 C2_1 C7_1 -122.51(16) . . . . ? C5_1 C1_1 C2_1 Rh1 -61.90(10) . . . . ? C6_1 C1_1 C2_1 Rh1 125.77(16) . . . . ? C1 Rh1 C2_1 C1_1 -169.61(9) . . . . ? B1 Rh1 C2_1 C1_1 -32.08(15) . . . . ? C5_1 Rh1 C2_1 C1_1 37.99(9) . . . . ? C4_1 Rh1 C2_1 C1_1 80.42(10) . . . . ? C3_1 Rh1 C2_1 C1_1 117.71(14) . . . . ? Rh2 Rh1 C2_1 C1_1 -84.67(9) . . . . ? C1 Rh1 C2_1 C3_1 72.68(11) . . . . ? B1 Rh1 C2_1 C3_1 -149.78(12) . . . . ? C5_1 Rh1 C2_1 C3_1 -79.72(10) . . . . ? C4_1 Rh1 C2_1 C3_1 -37.29(9) . . . . ? C1_1 Rh1 C2_1 C3_1 -117.71(14) . . . . ? Rh2 Rh1 C2_1 C3_1 157.62(8) . . . . ? C1 Rh1 C2_1 C7_1 -49.59(18) . . . . ? B1 Rh1 C2_1 C7_1 87.94(19) . . . . ? C5_1 Rh1 C2_1 C7_1 158.00(18) . . . . ? C4_1 Rh1 C2_1 C7_1 -159.56(18) . . . . ? C1_1 Rh1 C2_1 C7_1 120.0(2) . . . . ? C3_1 Rh1 C2_1 C7_1 -122.3(2) . . . . ? Rh2 Rh1 C2_1 C7_1 35.34(17) . . . . ? C1_1 C2_1 C3_1 C4_1 0.95(17) . . . . ? C7_1 C2_1 C3_1 C4_1 -174.77(15) . . . . ? Rh1 C2_1 C3_1 C4_1 62.53(11) . . . . ? C1_1 C2_1 C3_1 C8_1 178.22(15) . . . . ? C7_1 C2_1 C3_1 C8_1 2.5(3) . . . . ? Rh1 C2_1 C3_1 C8_1 -120.20(16) . . . . ? C1_1 C2_1 C3_1 Rh1 -61.58(11) . . . . ? C7_1 C2_1 C3_1 Rh1 122.71(16) . . . . ? C1 Rh1 C3_1 C2_1 -120.82(10) . . . . ? B1 Rh1 C3_1 C2_1 101.6(2) . . . . ? C5_1 Rh1 C3_1 C2_1 79.46(10) . . . . ? C4_1 Rh1 C3_1 C2_1 117.36(14) . . . . ? C1_1 Rh1 C3_1 C2_1 36.81(9) . . . . ? Rh2 Rh1 C3_1 C2_1 -41.07(13) . . . . ? C1 Rh1 C3_1 C4_1 121.82(10) . . . . ? B1 Rh1 C3_1 C4_1 -15.8(3) . . . . ? C5_1 Rh1 C3_1 C4_1 -37.90(9) . . . . ? C1_1 Rh1 C3_1 C4_1 -80.55(10) . . . . ? C2_1 Rh1 C3_1 C4_1 -117.36(14) . . . . ? Rh2 Rh1 C3_1 C4_1 -158.43(7) . . . . ? C1 Rh1 C3_1 C8_1 1.29(16) . . . . ? B1 Rh1 C3_1 C8_1 -136.3(2) . . . . ? C5_1 Rh1 C3_1 C8_1 -158.43(17) . . . . ? C4_1 Rh1 C3_1 C8_1 -120.54(19) . . . . ? C1_1 Rh1 C3_1 C8_1 158.91(17) . . . . ? C2_1 Rh1 C3_1 C8_1 122.10(19) . . . . ? Rh2 Rh1 C3_1 C8_1 81.03(17) . . . . ? C2_1 C3_1 C4_1 C5_1 -1.31(17) . . . . ? C8_1 C3_1 C4_1 C5_1 -178.59(15) . . . . ? Rh1 C3_1 C4_1 C5_1 62.23(10) . . . . ? C2_1 C3_1 C4_1 C9_1 173.95(15) . . . . ? C8_1 C3_1 C4_1 C9_1 -3.3(3) . . . . ? Rh1 C3_1 C4_1 C9_1 -122.51(16) . . . . ? C2_1 C3_1 C4_1 Rh1 -63.54(11) . . . . ? C8_1 C3_1 C4_1 Rh1 119.17(16) . . . . ? C1 Rh1 C4_1 C5_1 171.63(9) . . . . ? B1 Rh1 C4_1 C5_1 57.71(12) . . . . ? C1_1 Rh1 C4_1 C5_1 -38.00(9) . . . . ? C3_1 Rh1 C4_1 C5_1 -116.39(13) . . . . ? C2_1 Rh1 C4_1 C5_1 -79.50(10) . . . . ? Rh2 Rh1 C4_1 C5_1 7.8(2) . . . . ? C1 Rh1 C4_1 C3_1 -71.98(11) . . . . ? B1 Rh1 C4_1 C3_1 174.10(10) . . . . ? C5_1 Rh1 C4_1 C3_1 116.39(13) . . . . ? C1_1 Rh1 C4_1 C3_1 78.39(10) . . . . ? C2_1 Rh1 C4_1 C3_1 36.89(9) . . . . ? Rh2 Rh1 C4_1 C3_1 124.17(17) . . . . ? C1 Rh1 C4_1 C9_1 50.15(17) . . . . ? B1 Rh1 C4_1 C9_1 -63.77(17) . . . . ? C5_1 Rh1 C4_1 C9_1 -121.48(19) . . . . ? C1_1 Rh1 C4_1 C9_1 -159.48(17) . . . . ? C3_1 Rh1 C4_1 C9_1 122.13(19) . . . . ? C2_1 Rh1 C4_1 C9_1 159.02(17) . . . . ? Rh2 Rh1 C4_1 C9_1 -113.70(19) . . . . ? C3_1 C4_1 C5_1 C1_1 1.17(17) . . . . ? C9_1 C4_1 C5_1 C1_1 -174.06(15) . . . . ? Rh1 C4_1 C5_1 C1_1 64.49(10) . . . . ? C3_1 C4_1 C5_1 C10_1 173.70(15) . . . . ? C9_1 C4_1 C5_1 C10_1 -1.5(3) . . . . ? Rh1 C4_1 C5_1 C10_1 -122.98(16) . . . . ? C3_1 C4_1 C5_1 Rh1 -63.32(10) . . . . ? C9_1 C4_1 C5_1 Rh1 121.45(16) . . . . ? C2_1 C1_1 C5_1 C4_1 -0.59(17) . . . . ? C6_1 C1_1 C5_1 C4_1 171.74(15) . . . . ? Rh1 C1_1 C5_1 C4_1 -64.32(11) . . . . ? C2_1 C1_1 C5_1 C10_1 -173.17(15) . . . . ? C6_1 C1_1 C5_1 C10_1 -0.8(3) . . . . ? Rh1 C1_1 C5_1 C10_1 123.10(15) . . . . ? C2_1 C1_1 C5_1 Rh1 63.73(11) . . . . ? C6_1 C1_1 C5_1 Rh1 -123.94(16) . . . . ? C1 Rh1 C5_1 C4_1 -18.04(19) . . . . ? B1 Rh1 C5_1 C4_1 -135.67(10) . . . . ? C1_1 Rh1 C5_1 C4_1 116.23(13) . . . . ? C3_1 Rh1 C5_1 C4_1 37.58(9) . . . . ? C2_1 Rh1 C5_1 C4_1 79.17(10) . . . . ? Rh2 Rh1 C5_1 C4_1 -177.69(7) . . . . ? C1 Rh1 C5_1 C1_1 -134.27(15) . . . . ? B1 Rh1 C5_1 C1_1 108.10(10) . . . . ? C4_1 Rh1 C5_1 C1_1 -116.23(13) . . . . ? C3_1 Rh1 C5_1 C1_1 -78.65(10) . . . . ? C2_1 Rh1 C5_1 C1_1 -37.06(9) . . . . ? Rh2 Rh1 C5_1 C1_1 66.08(10) . . . . ? C1 Rh1 C5_1 C10_1 104.08(19) . . . . ? B1 Rh1 C5_1 C10_1 -13.55(16) . . . . ? C4_1 Rh1 C5_1 C10_1 122.13(19) . . . . ? C1_1 Rh1 C5_1 C10_1 -121.65(18) . . . . ? C3_1 Rh1 C5_1 C10_1 159.70(17) . . . . ? C2_1 Rh1 C5_1 C10_1 -158.71(17) . . . . ? Rh2 Rh1 C5_1 C10_1 -55.56(16) . . . . ? C2 Fe2 C1_2 C2_2 -11.09(18) . . . . ? B1 Fe2 C1_2 C2_2 -91.44(10) . . . . ? C3 Fe2 C1_2 C2_2 164.44(9) . . . . ? C3_2 Fe2 C1_2 C2_2 38.15(9) . . . . ? C5_2 Fe2 C1_2 C2_2 118.13(13) . . . . ? C4_2 Fe2 C1_2 C2_2 81.26(10) . . . . ? Rh2 Fe2 C1_2 C2_2 -142.93(8) . . . . ? C2 Fe2 C1_2 C5_2 -129.22(14) . . . . ? B1 Fe2 C1_2 C5_2 150.43(10) . . . . ? C3 Fe2 C1_2 C5_2 46.31(11) . . . . ? C2_2 Fe2 C1_2 C5_2 -118.13(13) . . . . ? C3_2 Fe2 C1_2 C5_2 -79.98(10) . . . . ? C4_2 Fe2 C1_2 C5_2 -36.87(9) . . . . ? Rh2 Fe2 C1_2 C5_2 98.94(9) . . . . ? C2 Fe2 C1_2 C6_2 109.31(18) . . . . ? B1 Fe2 C1_2 C6_2 28.96(16) . . . . ? C3 Fe2 C1_2 C6_2 -75.16(17) . . . . ? C2_2 Fe2 C1_2 C6_2 120.39(19) . . . . ? C3_2 Fe2 C1_2 C6_2 158.55(18) . . . . ? C5_2 Fe2 C1_2 C6_2 -121.47(19) . . . . ? C4_2 Fe2 C1_2 C6_2 -158.35(18) . . . . ? Rh2 Fe2 C1_2 C6_2 -22.53(16) . . . . ? C5_2 C1_2 C2_2 C3_2 0.11(17) . . . . ? C6_2 C1_2 C2_2 C3_2 176.19(14) . . . . ? Fe2 C1_2 C2_2 C3_2 -60.79(10) . . . . ? C5_2 C1_2 C2_2 C7_2 -175.27(14) . . . . ? C6_2 C1_2 C2_2 C7_2 0.8(2) . . . . ? Fe2 C1_2 C2_2 C7_2 123.83(15) . . . . ? C5_2 C1_2 C2_2 Fe2 60.90(11) . . . . ? C6_2 C1_2 C2_2 Fe2 -123.02(15) . . . . ? C2 Fe2 C2_2 C1_2 174.23(9) . . . . ? B1 Fe2 C2_2 C1_2 89.64(10) . . . . ? C3 Fe2 C2_2 C1_2 -32.47(18) . . . . ? C3_2 Fe2 C2_2 C1_2 -117.90(13) . . . . ? C5_2 Fe2 C2_2 C1_2 -37.71(9) . . . . ? C4_2 Fe2 C2_2 C1_2 -80.56(10) . . . . ? Rh2 Fe2 C2_2 C1_2 55.22(11) . . . . ? C2 Fe2 C2_2 C3_2 -67.87(10) . . . . ? B1 Fe2 C2_2 C3_2 -152.46(10) . . . . ? C3 Fe2 C2_2 C3_2 85.42(16) . . . . ? C1_2 Fe2 C2_2 C3_2 117.90(13) . . . . ? C5_2 Fe2 C2_2 C3_2 80.19(10) . . . . ? C4_2 Fe2 C2_2 C3_2 37.33(9) . . . . ? Rh2 Fe2 C2_2 C3_2 173.12(7) . . . . ? C2 Fe2 C2_2 C7_2 52.80(17) . . . . ? B1 Fe2 C2_2 C7_2 -31.79(16) . . . . ? C3 Fe2 C2_2 C7_2 -153.90(15) . . . . ? C3_2 Fe2 C2_2 C7_2 120.68(19) . . . . ? C1_2 Fe2 C2_2 C7_2 -121.43(19) . . . . ? C5_2 Fe2 C2_2 C7_2 -159.14(17) . . . . ? C4_2 Fe2 C2_2 C7_2 158.01(17) . . . . ? Rh2 Fe2 C2_2 C7_2 -66.21(17) . . . . ? C1_2 C2_2 C3_2 C4_2 -0.22(17) . . . . ? C7_2 C2_2 C3_2 C4_2 175.18(14) . . . . ? Fe2 C2_2 C3_2 C4_2 -61.37(11) . . . . ? C1_2 C2_2 C3_2 C8_2 -175.93(14) . . . . ? C7_2 C2_2 C3_2 C8_2 -0.5(2) . . . . ? Fe2 C2_2 C3_2 C8_2 122.91(15) . . . . ? C1_2 C2_2 C3_2 Fe2 61.15(10) . . . . ? C7_2 C2_2 C3_2 Fe2 -123.44(15) . . . . ? C2 Fe2 C3_2 C4_2 -120.83(10) . . . . ? B1 Fe2 C3_2 C4_2 153.61(10) . . . . ? C3 Fe2 C3_2 C4_2 -24.84(13) . . . . ? C2_2 Fe2 C3_2 C4_2 118.64(13) . . . . ? C1_2 Fe2 C3_2 C4_2 80.76(10) . . . . ? C5_2 Fe2 C3_2 C4_2 37.54(10) . . . . ? C2 Fe2 C3_2 C2_2 120.52(10) . . . . ? B1 Fe2 C3_2 C2_2 34.97(12) . . . . ? C3 Fe2 C3_2 C2_2 -143.49(10) . . . . ? C1_2 Fe2 C3_2 C2_2 -37.88(9) . . . . ? C5_2 Fe2 C3_2 C2_2 -81.10(10) . . . . ? C4_2 Fe2 C3_2 C2_2 -118.64(13) . . . . ? C2 Fe2 C3_2 C8_2 1.66(16) . . . . ? B1 Fe2 C3_2 C8_2 -83.89(17) . . . . ? C3 Fe2 C3_2 C8_2 97.66(16) . . . . ? C2_2 Fe2 C3_2 C8_2 -118.86(19) . . . . ? C1_2 Fe2 C3_2 C8_2 -156.74(17) . . . . ? C5_2 Fe2 C3_2 C8_2 160.04(17) . . . . ? C4_2 Fe2 C3_2 C8_2 122.50(19) . . . . ? C2_2 C3_2 C4_2 C5_2 0.24(17) . . . . ? C8_2 C3_2 C4_2 C5_2 175.84(15) . . . . ? Fe2 C3_2 C4_2 C5_2 -60.24(11) . . . . ? C2_2 C3_2 C4_2 C9_2 -178.26(15) . . . . ? C8_2 C3_2 C4_2 C9_2 -2.7(3) . . . . ? Fe2 C3_2 C4_2 C9_2 121.26(17) . . . . ? C2_2 C3_2 C4_2 Fe2 60.48(10) . . . . ? C8_2 C3_2 C4_2 Fe2 -123.92(16) . . . . ? C2 Fe2 C4_2 C5_2 -174.36(10) . . . . ? B1 Fe2 C4_2 C5_2 55.5(2) . . . . ? C3 Fe2 C4_2 C5_2 -80.12(10) . . . . ? C2_2 Fe2 C4_2 C5_2 80.43(10) . . . . ? C3_2 Fe2 C4_2 C5_2 118.23(14) . . . . ? C1_2 Fe2 C4_2 C5_2 37.11(10) . . . . ? Rh2 Fe2 C4_2 C5_2 -52.32(12) . . . . ? C2 Fe2 C4_2 C3_2 67.42(11) . . . . ? B1 Fe2 C4_2 C3_2 -62.7(2) . . . . ? C3 Fe2 C4_2 C3_2 161.65(10) . . . . ? C2_2 Fe2 C4_2 C3_2 -37.80(9) . . . . ? C1_2 Fe2 C4_2 C3_2 -81.11(10) . . . . ? C5_2 Fe2 C4_2 C3_2 -118.23(14) . . . . ? Rh2 Fe2 C4_2 C3_2 -170.55(7) . . . . ? C2 Fe2 C4_2 C9_2 -54.11(18) . . . . ? B1 Fe2 C4_2 C9_2 175.74(17) . . . . ? C3 Fe2 C4_2 C9_2 40.13(17) . . . . ? C2_2 Fe2 C4_2 C9_2 -159.32(18) . . . . ? C3_2 Fe2 C4_2 C9_2 -121.5(2) . . . . ? C1_2 Fe2 C4_2 C9_2 157.36(18) . . . . ? C5_2 Fe2 C4_2 C9_2 120.3(2) . . . . ? Rh2 Fe2 C4_2 C9_2 67.93(18) . . . . ? C3_2 C4_2 C5_2 C1_2 -0.17(17) . . . . ? C9_2 C4_2 C5_2 C1_2 178.36(15) . . . . ? Fe2 C4_2 C5_2 C1_2 -59.81(11) . . . . ? C3_2 C4_2 C5_2 C10_2 -174.76(15) . . . . ? C9_2 C4_2 C5_2 C10_2 3.8(3) . . . . ? Fe2 C4_2 C5_2 C10_2 125.61(16) . . . . ? C3_2 C4_2 C5_2 Fe2 59.64(10) . . . . ? C9_2 C4_2 C5_2 Fe2 -121.83(16) . . . . ? C2_2 C1_2 C5_2 C4_2 0.04(17) . . . . ? C6_2 C1_2 C5_2 C4_2 -176.02(15) . . . . ? Fe2 C1_2 C5_2 C4_2 60.30(11) . . . . ? C2_2 C1_2 C5_2 C10_2 174.57(15) . . . . ? C6_2 C1_2 C5_2 C10_2 -1.5(3) . . . . ? Fe2 C1_2 C5_2 C10_2 -125.17(16) . . . . ? C2_2 C1_2 C5_2 Fe2 -60.26(10) . . . . ? C6_2 C1_2 C5_2 Fe2 123.68(16) . . . . ? C2 Fe2 C5_2 C4_2 10.71(18) . . . . ? B1 Fe2 C5_2 C4_2 -156.22(10) . . . . ? C3 Fe2 C5_2 C4_2 100.78(10) . . . . ? C2_2 Fe2 C5_2 C4_2 -81.55(10) . . . . ? C3_2 Fe2 C5_2 C4_2 -37.76(9) . . . . ? C1_2 Fe2 C5_2 C4_2 -119.43(13) . . . . ? Rh2 Fe2 C5_2 C4_2 146.17(8) . . . . ? C2 Fe2 C5_2 C1_2 130.13(14) . . . . ? B1 Fe2 C5_2 C1_2 -36.79(12) . . . . ? C3 Fe2 C5_2 C1_2 -139.79(10) . . . . ? C2_2 Fe2 C5_2 C1_2 37.88(9) . . . . ? C3_2 Fe2 C5_2 C1_2 81.67(10) . . . . ? C4_2 Fe2 C5_2 C1_2 119.43(13) . . . . ? Rh2 Fe2 C5_2 C1_2 -94.41(9) . . . . ? C2 Fe2 C5_2 C10_2 -109.4(2) . . . . ? B1 Fe2 C5_2 C10_2 83.69(19) . . . . ? C3 Fe2 C5_2 C10_2 -19.30(18) . . . . ? C2_2 Fe2 C5_2 C10_2 158.36(19) . . . . ? C3_2 Fe2 C5_2 C10_2 -157.85(19) . . . . ? C1_2 Fe2 C5_2 C10_2 120.5(2) . . . . ? C4_2 Fe2 C5_2 C10_2 -120.1(2) . . . . ? Rh2 Fe2 C5_2 C10_2 26.08(18) . . . . ? C6 Fe1 C1_3 C5_3 172.95(9) . . . . ? C5 Fe1 C1_3 C5_3 81.08(10) . . . . ? C4 Fe1 C1_3 C5_3 -42.00(18) . . . . ? C2_3 Fe1 C1_3 C5_3 -117.96(13) . . . . ? C3_3 Fe1 C1_3 C5_3 -80.13(10) . . . . ? C4_3 Fe1 C1_3 C5_3 -37.10(9) . . . . ? Rh2 Fe1 C1_3 C5_3 53.69(11) . . . . ? C6 Fe1 C1_3 C2_3 -69.08(10) . . . . ? C5 Fe1 C1_3 C2_3 -160.96(9) . . . . ? C4 Fe1 C1_3 C2_3 75.96(17) . . . . ? C3_3 Fe1 C1_3 C2_3 37.84(9) . . . . ? C5_3 Fe1 C1_3 C2_3 117.96(13) . . . . ? C4_3 Fe1 C1_3 C2_3 80.86(9) . . . . ? Rh2 Fe1 C1_3 C2_3 171.65(7) . . . . ? C6 Fe1 C1_3 C6_3 52.22(16) . . . . ? C5 Fe1 C1_3 C6_3 -39.65(16) . . . . ? C4 Fe1 C1_3 C6_3 -162.73(14) . . . . ? C2_3 Fe1 C1_3 C6_3 121.31(19) . . . . ? C3_3 Fe1 C1_3 C6_3 159.14(17) . . . . ? C5_3 Fe1 C1_3 C6_3 -120.73(19) . . . . ? C4_3 Fe1 C1_3 C6_3 -157.83(17) . . . . ? Rh2 Fe1 C1_3 C6_3 -67.04(17) . . . . ? C5_3 C1_3 C2_3 C3_3 0.01(17) . . . . ? C6_3 C1_3 C2_3 C3_3 174.70(15) . . . . ? Fe1 C1_3 C2_3 C3_3 -61.42(10) . . . . ? C5_3 C1_3 C2_3 C7_3 -175.84(14) . . . . ? C6_3 C1_3 C2_3 C7_3 -1.1(3) . . . . ? Fe1 C1_3 C2_3 C7_3 122.73(16) . . . . ? C5_3 C1_3 C2_3 Fe1 61.44(10) . . . . ? C6_3 C1_3 C2_3 Fe1 -123.87(16) . . . . ? C6 Fe1 C2_3 C3_3 -124.65(10) . . . . ? C5 Fe1 C2_3 C3_3 144.49(10) . . . . ? C4 Fe1 C2_3 C3_3 -28.31(12) . . . . ? C1_3 Fe1 C2_3 C3_3 118.09(13) . . . . ? C5_3 Fe1 C2_3 C3_3 80.30(10) . . . . ? C4_3 Fe1 C2_3 C3_3 37.62(9) . . . . ? C6 Fe1 C2_3 C1_3 117.26(10) . . . . ? C5 Fe1 C2_3 C1_3 26.40(13) . . . . ? C4 Fe1 C2_3 C1_3 -146.40(9) . . . . ? C3_3 Fe1 C2_3 C1_3 -118.09(13) . . . . ? C5_3 Fe1 C2_3 C1_3 -37.79(9) . . . . ? C4_3 Fe1 C2_3 C1_3 -80.47(9) . . . . ? C6 Fe1 C2_3 C7_3 -4.65(15) . . . . ? C5 Fe1 C2_3 C7_3 -95.51(16) . . . . ? C4 Fe1 C2_3 C7_3 91.69(16) . . . . ? C1_3 Fe1 C2_3 C7_3 -121.91(18) . . . . ? C3_3 Fe1 C2_3 C7_3 120.00(18) . . . . ? C5_3 Fe1 C2_3 C7_3 -159.70(16) . . . . ? C4_3 Fe1 C2_3 C7_3 157.62(17) . . . . ? C1_3 C2_3 C3_3 C4_3 -0.39(17) . . . . ? C7_3 C2_3 C3_3 C4_3 175.57(14) . . . . ? Fe1 C2_3 C3_3 C4_3 -61.26(10) . . . . ? C1_3 C2_3 C3_3 C8_3 -174.48(14) . . . . ? C7_3 C2_3 C3_3 C8_3 1.5(3) . . . . ? Fe1 C2_3 C3_3 C8_3 124.64(16) . . . . ? C1_3 C2_3 C3_3 Fe1 60.87(10) . . . . ? C7_3 C2_3 C3_3 Fe1 -123.17(15) . . . . ? C6 Fe1 C3_3 C2_3 62.60(10) . . . . ? C5 Fe1 C3_3 C2_3 -87.16(17) . . . . ? C4 Fe1 C3_3 C2_3 158.02(10) . . . . ? C1_3 Fe1 C3_3 C2_3 -38.11(9) . . . . ? C5_3 Fe1 C3_3 C2_3 -81.39(10) . . . . ? C4_3 Fe1 C3_3 C2_3 -118.12(13) . . . . ? Rh2 Fe1 C3_3 C2_3 -177.50(7) . . . . ? C6 Fe1 C3_3 C4_3 -179.28(9) . . . . ? C5 Fe1 C3_3 C4_3 30.96(19) . . . . ? C4 Fe1 C3_3 C4_3 -83.86(9) . . . . ? C2_3 Fe1 C3_3 C4_3 118.12(13) . . . . ? C1_3 Fe1 C3_3 C4_3 80.01(9) . . . . ? C5_3 Fe1 C3_3 C4_3 36.73(9) . . . . ? Rh2 Fe1 C3_3 C4_3 -59.38(10) . . . . ? C6 Fe1 C3_3 C8_3 -58.40(17) . . . . ? C5 Fe1 C3_3 C8_3 151.84(16) . . . . ? C4 Fe1 C3_3 C8_3 37.02(16) . . . . ? C2_3 Fe1 C3_3 C8_3 -121.00(19) . . . . ? C1_3 Fe1 C3_3 C8_3 -159.11(17) . . . . ? C5_3 Fe1 C3_3 C8_3 157.61(17) . . . . ? C4_3 Fe1 C3_3 C8_3 120.88(19) . . . . ? Rh2 Fe1 C3_3 C8_3 61.50(17) . . . . ? C2_3 C3_3 C4_3 C5_3 0.61(17) . . . . ? C8_3 C3_3 C4_3 C5_3 174.81(14) . . . . ? Fe1 C3_3 C4_3 C5_3 -59.32(10) . . . . ? C2_3 C3_3 C4_3 C9_3 -174.93(14) . . . . ? C8_3 C3_3 C4_3 C9_3 -0.7(2) . . . . ? Fe1 C3_3 C4_3 C9_3 125.13(15) . . . . ? C2_3 C3_3 C4_3 Fe1 59.94(10) . . . . ? C8_3 C3_3 C4_3 Fe1 -125.87(15) . . . . ? C6 Fe1 C4_3 C5_3 120.95(14) . . . . ? C5 Fe1 C4_3 C5_3 -46.11(11) . . . . ? C4 Fe1 C4_3 C5_3 -144.58(10) . . . . ? C2_3 Fe1 C4_3 C5_3 81.54(10) . . . . ? C1_3 Fe1 C4_3 C5_3 37.63(9) . . . . ? C3_3 Fe1 C4_3 C5_3 119.56(13) . . . . ? Rh2 Fe1 C4_3 C5_3 -100.24(8) . . . . ? C6 Fe1 C4_3 C3_3 1.39(17) . . . . ? C5 Fe1 C4_3 C3_3 -165.67(9) . . . . ? C4 Fe1 C4_3 C3_3 95.87(9) . . . . ? C2_3 Fe1 C4_3 C3_3 -38.01(9) . . . . ? C1_3 Fe1 C4_3 C3_3 -81.93(10) . . . . ? C5_3 Fe1 C4_3 C3_3 -119.56(13) . . . . ? Rh2 Fe1 C4_3 C3_3 140.20(8) . . . . ? C6 Fe1 C4_3 C9_3 -117.05(17) . . . . ? C5 Fe1 C4_3 C9_3 75.89(16) . . . . ? C4 Fe1 C4_3 C9_3 -22.57(16) . . . . ? C2_3 Fe1 C4_3 C9_3 -156.45(17) . . . . ? C1_3 Fe1 C4_3 C9_3 159.63(17) . . . . ? C3_3 Fe1 C4_3 C9_3 -118.44(19) . . . . ? C5_3 Fe1 C4_3 C9_3 122.01(19) . . . . ? Rh2 Fe1 C4_3 C9_3 21.76(16) . . . . ? C3_3 C4_3 C5_3 C1_3 -0.61(17) . . . . ? C9_3 C4_3 C5_3 C1_3 174.79(15) . . . . ? Fe1 C4_3 C5_3 C1_3 -59.69(10) . . . . ? C3_3 C4_3 C5_3 C10_3 -177.37(14) . . . . ? C9_3 C4_3 C5_3 C10_3 -2.0(3) . . . . ? Fe1 C4_3 C5_3 C10_3 123.55(15) . . . . ? C3_3 C4_3 C5_3 Fe1 59.08(10) . . . . ? C9_3 C4_3 C5_3 Fe1 -125.52(16) . . . . ? C2_3 C1_3 C5_3 C4_3 0.37(17) . . . . ? C6_3 C1_3 C5_3 C4_3 -174.41(14) . . . . ? Fe1 C1_3 C5_3 C4_3 60.89(10) . . . . ? C2_3 C1_3 C5_3 C10_3 177.15(14) . . . . ? C6_3 C1_3 C5_3 C10_3 2.4(2) . . . . ? Fe1 C1_3 C5_3 C10_3 -122.32(15) . . . . ? C2_3 C1_3 C5_3 Fe1 -60.53(10) . . . . ? C6_3 C1_3 C5_3 Fe1 124.70(16) . . . . ? C6 Fe1 C5_3 C4_3 -131.10(12) . . . . ? C5 Fe1 C5_3 C4_3 140.53(10) . . . . ? C4 Fe1 C5_3 C4_3 41.21(11) . . . . ? C2_3 Fe1 C5_3 C4_3 -80.53(10) . . . . ? C1_3 Fe1 C5_3 C4_3 -118.76(13) . . . . ? C3_3 Fe1 C5_3 C4_3 -37.02(9) . . . . ? Rh2 Fe1 C5_3 C4_3 94.45(8) . . . . ? C6 Fe1 C5_3 C1_3 -12.35(16) . . . . ? C5 Fe1 C5_3 C1_3 -100.71(10) . . . . ? C4 Fe1 C5_3 C1_3 159.97(9) . . . . ? C2_3 Fe1 C5_3 C1_3 38.23(9) . . . . ? C3_3 Fe1 C5_3 C1_3 81.73(10) . . . . ? C4_3 Fe1 C5_3 C1_3 118.76(13) . . . . ? Rh2 Fe1 C5_3 C1_3 -146.79(8) . . . . ? C6 Fe1 C5_3 C10_3 107.31(17) . . . . ? C5 Fe1 C5_3 C10_3 18.94(15) . . . . ? C4 Fe1 C5_3 C10_3 -80.38(15) . . . . ? C2_3 Fe1 C5_3 C10_3 157.88(16) . . . . ? C1_3 Fe1 C5_3 C10_3 119.65(18) . . . . ? C3_3 Fe1 C5_3 C10_3 -158.61(16) . . . . ? C4_3 Fe1 C5_3 C10_3 -121.59(18) . . . . ? Rh2 Fe1 C5_3 C10_3 -27.14(15) . . . . ? _diffrn_measured_fraction_theta_max 0.933 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.546 _refine_diff_density_min -0.392 _refine_diff_density_rms 0.086