#------------------------------------------------------------------------------
#$Date: 2018-08-12 01:25:41 +0300 (Sun, 12 Aug 2018) $
#$Revision: 209592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/12/7001279.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7001279
loop_
_publ_author_name
'Janiak, Christoph'
'Chamayou, Anne-Christine'
'Royhan Uddin, A. K. M.'
'Uddin, Mohammad'
'Hagen, Karl S.'
'Enamullah, Mohammed'
_publ_section_title
;
 Polymorphs, enantiomorphs, chirality and helicity in
 [Rh{N,O}(η4-cod)] complexes with {N,O} = salicylaldiminato Schiff
 base or aminocarboxylato ligands
;
_journal_coden_ASTM              DTARAF
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              3698
_journal_page_last               3709
_journal_paper_doi               10.1039/b820072f
_journal_year                    2009
_chemical_formula_moiety         'C32 H38 N2 O2 Rh2'
_chemical_formula_sum            'C32 H38 N2 O2 Rh2'
_chemical_formula_weight         688.46
_chemical_name_systematic
;
bis(η⁴-cyclo-octa-1,5-diene)-(μ-N,N'-1,2-diaminoethane-
bis(salicylaldiminato)-\kN,O:N',O')-di-rhodium(I)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.549(2)
_cell_angle_beta                 115.690(2)
_cell_angle_gamma                96.732(2)
_cell_formula_units_Z            2
_cell_length_a                   11.578(1)
_cell_length_b                   11.676(1)
_cell_length_c                   12.500(1)
_cell_measurement_reflns_used    9263
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      3.20
_cell_volume                     1322.3(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20655
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.282
_exptl_absorpt_correction_T_max  0.8825
_exptl_absorpt_correction_T_min  0.8212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS ver 2.03, R. Blessing 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.445
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         7677
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0360P)²+1.9483P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0831
_reflns_number_gt                6836
_reflns_number_total             7677
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B820072f.txt
_cod_data_source_block           muen8s
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1322.3(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7001279
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.684616(19) -0.181130(18) -0.028305(18) 0.01524(5) Uani 1 1 d . . .
Rh2 Rh 1.154739(19) 0.326792(18) 0.509632(18) 0.01568(5) Uani 1 1 d . . .
N1 N 0.6987(2) 0.0021(2) 0.1082(2) 0.0167(4) Uani 1 1 d . . .
N2 N 0.9780(2) 0.3321(2) 0.3644(2) 0.0171(4) Uani 1 1 d . . .
O1 O 0.51213(19) -0.26983(18) -0.0440(2) 0.0231(4) Uani 1 1 d . . .
O2 O 1.26226(19) 0.50164(18) 0.54525(19) 0.0213(4) Uani 1 1 d . . .
C1 C 0.8021(2) 0.1270(2) 0.1586(2) 0.0173(4) Uani 1 1 d . . .
H1A H 0.7668 0.1590 0.0920 0.021 Uiso 1 1 calc R . .
H1B H 0.8852 0.1088 0.1638 0.021 Uiso 1 1 calc R . .
C2 C 0.6126(2) 0.0148(2) 0.1484(3) 0.0181(5) Uani 1 1 d . . .
H2 H 0.6204 0.1029 0.2002 0.022 Uiso 1 1 calc R . .
C3 C 0.5072(2) -0.0860(2) 0.1252(2) 0.0169(4) Uani 1 1 d . . .
C4 C 0.4652(3) -0.2222(3) 0.0351(3) 0.0188(5) Uani 1 1 d . . .
C5 C 0.3673(3) -0.3091(3) 0.0323(3) 0.0280(6) Uani 1 1 d . . .
H5 H 0.3394 -0.4012 -0.0255 0.034 Uiso 1 1 calc R . .
C6 C 0.3107(3) -0.2654(3) 0.1102(3) 0.0294(6) Uani 1 1 d . . .
H6 H 0.2455 -0.3271 0.1062 0.035 Uiso 1 1 calc R . .
C7 C 0.3487(3) -0.1309(3) 0.1952(3) 0.0263(6) Uani 1 1 d . . .
H7 H 0.3080 -0.1000 0.2474 0.032 Uiso 1 1 calc R . .
C8 C 0.4456(3) -0.0437(3) 0.2023(3) 0.0217(5) Uani 1 1 d . . .
H8 H 0.4721 0.0480 0.2608 0.026 Uiso 1 1 calc R . .
C9 C 0.8057(3) -0.1005(3) -0.0857(3) 0.0207(5) Uani 1 1 d . . .
H9 H 0.8227 -0.0044 -0.0558 0.025 Uiso 1 1 calc R . .
C10 C 0.8879(3) -0.1278(3) 0.0168(3) 0.0218(5) Uani 1 1 d . . .
H10 H 0.9526 -0.0475 0.1067 0.026 Uiso 1 1 calc R . .
C11 C 0.9407(3) -0.2433(3) -0.0110(3) 0.0285(6) Uani 1 1 d . . .
H11A H 1.0327 -0.2176 0.0675 0.034 Uiso 1 1 calc R . .
H11B H 0.9488 -0.2644 -0.0916 0.034 Uiso 1 1 calc R . .
C12 C 0.8461(3) -0.3656(3) -0.0360(3) 0.0287(6) Uani 1 1 d . . .
H12A H 0.8534 -0.4452 -0.0967 0.034 Uiso 1 1 calc R . .
H12B H 0.8768 -0.3652 0.0515 0.034 Uiso 1 1 calc R . .
C13 C 0.6987(3) -0.3740(3) -0.0986(3) 0.0225(5) Uani 1 1 d . . .
H13 H 0.6404 -0.4371 -0.0910 0.027 Uiso 1 1 calc R . .
C14 C 0.6282(3) -0.3559(3) -0.2104(3) 0.0208(5) Uani 1 1 d . . .
H14 H 0.5285 -0.4082 -0.2686 0.025 Uiso 1 1 calc R . .
C15 C 0.6917(3) -0.3319(3) -0.2867(3) 0.0245(5) Uani 1 1 d . . .
H15A H 0.6211 -0.3749 -0.3845 0.029 Uiso 1 1 calc R . .
H15B H 0.7633 -0.3727 -0.2771 0.029 Uiso 1 1 calc R . .
C16 C 0.7542(3) -0.1849(3) -0.2347(3) 0.0241(5) Uani 1 1 d . . .
H16A H 0.8309 -0.1714 -0.2496 0.029 Uiso 1 1 calc R . .
H16B H 0.6849 -0.1558 -0.2881 0.029 Uiso 1 1 calc R . .
C17 C 0.8413(2) 0.2368(2) 0.2982(3) 0.0185(5) Uani 1 1 d . . .
H17A H 0.7737 0.2827 0.2873 0.022 Uiso 1 1 calc R . .
H17B H 0.8408 0.1980 0.3559 0.022 Uiso 1 1 calc R . .
C18 C 0.9778(3) 0.4204(2) 0.3256(3) 0.0187(5) Uani 1 1 d . . .
H18 H 0.8907 0.4152 0.2624 0.022 Uiso 1 1 calc R . .
C19 C 1.0911(3) 0.5246(2) 0.3654(3) 0.0179(5) Uani 1 1 d . . .
C20 C 1.2260(3) 0.5614(2) 0.4736(2) 0.0176(5) Uani 1 1 d . . .
C21 C 1.3270(3) 0.6703(3) 0.5041(3) 0.0250(5) Uani 1 1 d . . .
H21 H 1.4176 0.6986 0.5774 0.030 Uiso 1 1 calc R . .
C22 C 1.2964(3) 0.7353(3) 0.4299(3) 0.0282(6) Uani 1 1 d . . .
H22 H 1.3663 0.8073 0.4523 0.034 Uiso 1 1 calc R . .
C23 C 1.1641(3) 0.6974(3) 0.3217(3) 0.0274(6) Uani 1 1 d . . .
H23 H 1.1440 0.7420 0.2698 0.033 Uiso 1 1 calc R . .
C24 C 1.0643(3) 0.5950(3) 0.2921(3) 0.0247(5) Uani 1 1 d . . .
H24 H 0.9740 0.5703 0.2199 0.030 Uiso 1 1 calc R . .
C25 C 1.3220(3) 0.3745(3) 0.7026(3) 0.0233(5) Uani 1 1 d . . .
H25 H 1.3834 0.4686 0.7575 0.028 Uiso 1 1 calc R . .
C26 C 1.3440(3) 0.2960(3) 0.6023(3) 0.0238(5) Uani 1 1 d . . .
H26 H 1.4178 0.3448 0.5985 0.029 Uiso 1 1 calc R . .
C27 C 1.3284(3) 0.1514(3) 0.5569(3) 0.0294(6) Uani 1 1 d . . .
H27A H 1.3523 0.1359 0.6352 0.035 Uiso 1 1 calc R . .
H27B H 1.3932 0.1306 0.5270 0.035 Uiso 1 1 calc R . .
C28 C 1.1833(3) 0.0580(3) 0.4407(3) 0.0269(6) Uani 1 1 d . . .
H28A H 1.1804 0.0261 0.3535 0.032 Uiso 1 1 calc R . .
H28B H 1.1617 -0.0195 0.4520 0.032 Uiso 1 1 calc R . .
C29 C 1.0757(3) 0.1213(2) 0.4337(3) 0.0216(5) Uani 1 1 d . . .
H29 H 0.9878 0.0743 0.3442 0.026 Uiso 1 1 calc R . .
C30 C 1.0619(3) 0.1878(3) 0.5458(3) 0.0211(5) Uani 1 1 d . . .
H30 H 0.9660 0.1805 0.5221 0.025 Uiso 1 1 calc R . .
C31 C 1.1526(3) 0.1982(3) 0.6829(3) 0.0254(5) Uani 1 1 d . . .
H31A H 1.1876 0.1236 0.6701 0.030 Uiso 1 1 calc R . .
H31B H 1.0982 0.1920 0.7249 0.030 Uiso 1 1 calc R . .
C32 C 1.2721(3) 0.3279(3) 0.7775(3) 0.0273(6) Uani 1 1 d . . .
H32A H 1.2439 0.3963 0.8267 0.033 Uiso 1 1 calc R . .
H32B H 1.3480 0.3166 0.8457 0.033 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Rh1 N1 90.34(8) . . ?
O1 Rh1 C9 157.69(10) . . ?
N1 Rh1 C9 94.73(9) . . ?
O1 Rh1 C10 161.13(10) . . ?
N1 Rh1 C10 97.44(9) . . ?
C9 Rh1 C10 38.86(10) . . ?
O1 Rh1 C13 84.61(9) . . ?
N1 Rh1 C13 158.06(9) . . ?
C9 Rh1 C13 98.01(10) . . ?
C10 Rh1 C13 81.77(11) . . ?
O1 Rh1 C14 87.05(9) . . ?
N1 Rh1 C14 163.19(9) . . ?
C9 Rh1 C14 81.83(10) . . ?
C10 Rh1 C14 90.19(10) . . ?
C13 Rh1 C14 37.97(10) . . ?
O2 Rh2 N2 89.49(8) . . ?
O2 Rh2 C29 160.05(10) . . ?
N2 Rh2 C29 94.30(10) . . ?
O2 Rh2 C25 84.48(9) . . ?
N2 Rh2 C25 159.99(10) . . ?
C29 Rh2 C25 97.85(11) . . ?
O2 Rh2 C30 159.29(9) . . ?
N2 Rh2 C30 98.85(10) . . ?
C29 Rh2 C30 38.63(10) . . ?
C25 Rh2 C30 81.26(10) . . ?
O2 Rh2 C26 88.11(9) . . ?
N2 Rh2 C26 161.12(10) . . ?
C29 Rh2 C26 81.98(11) . . ?
C25 Rh2 C26 37.93(11) . . ?
C30 Rh2 C26 89.80(11) . . ?
C2 N1 C1 115.2(2) . . ?
C2 N1 Rh1 122.32(17) . . ?
C1 N1 Rh1 122.39(16) . . ?
C18 N2 C17 113.6(2) . . ?
C18 N2 Rh2 123.42(17) . . ?
C17 N2 Rh2 123.01(16) . . ?
C4 O1 Rh1 127.87(16) . . ?
C20 O2 Rh2 128.57(16) . . ?
N1 C1 C17 114.5(2) . . ?
N1 C1 H1A 108.6 . . ?
C17 C1 H1A 108.6 . . ?
N1 C1 H1B 108.6 . . ?
C17 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
N1 C2 C3 128.8(2) . . ?
N1 C2 H2 115.6 . . ?
C3 C2 H2 115.6 . . ?
C8 C3 C4 119.2(2) . . ?
C8 C3 C2 116.1(2) . . ?
C4 C3 C2 124.7(2) . . ?
O1 C4 C5 119.2(2) . . ?
O1 C4 C3 123.5(2) . . ?
C5 C4 C3 117.3(2) . . ?
C6 C5 C4 122.3(3) . . ?
C6 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
C5 C6 C7 120.2(3) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C6 119.0(3) . . ?
C8 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C7 C8 C3 122.0(2) . . ?
C7 C8 H8 119.0 . . ?
C3 C8 H8 119.0 . . ?
C10 C9 C16 124.2(2) . . ?
C10 C9 Rh1 70.88(15) . . ?
C16 C9 Rh1 111.10(18) . . ?
C10 C9 H9 114.2 . . ?
C16 C9 H9 114.2 . . ?
Rh1 C9 H9 114.2 . . ?
C9 C10 C11 122.8(2) . . ?
C9 C10 Rh1 70.26(15) . . ?
C11 C10 Rh1 113.91(19) . . ?
C9 C10 H10 114.1 . . ?
C11 C10 H10 114.1 . . ?
Rh1 C10 H10 114.1 . . ?
C10 C11 C12 111.6(2) . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C12 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C13 C12 C11 113.3(2) . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C14 C13 C12 124.8(2) . . ?
C14 C13 Rh1 71.44(15) . . ?
C12 C13 Rh1 110.39(19) . . ?
C14 C13 H13 114.1 . . ?
C12 C13 H13 114.1 . . ?
Rh1 C13 H13 114.1 . . ?
C13 C14 C15 122.6(2) . . ?
C13 C14 Rh1 70.59(15) . . ?
C15 C14 Rh1 112.99(18) . . ?
C13 C14 H14 114.4 . . ?
C15 C14 H14 114.4 . . ?
Rh1 C14 H14 114.4 . . ?
C14 C15 C16 112.1(2) . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
C16 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C9 C16 C15 113.1(2) . . ?
C9 C16 H16A 109.0 . . ?
C15 C16 H16A 109.0 . . ?
C9 C16 H16B 109.0 . . ?
C15 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
N2 C17 C1 110.2(2) . . ?
N2 C17 H17A 109.6 . . ?
C1 C17 H17A 109.6 . . ?
N2 C17 H17B 109.6 . . ?
C1 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
N2 C18 C19 128.6(2) . . ?
N2 C18 H18 115.7 . . ?
C19 C18 H18 115.7 . . ?
C24 C19 C20 119.1(2) . . ?
C24 C19 C18 116.9(2) . . ?
C20 C19 C18 124.0(2) . . ?
O2 C20 C19 124.1(2) . . ?
O2 C20 C21 118.4(2) . . ?
C19 C20 C21 117.4(2) . . ?
C22 C21 C20 121.4(3) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C23 121.1(3) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 118.7(3) . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
C23 C24 C19 122.2(3) . . ?
C23 C24 H24 118.9 . . ?
C19 C24 H24 118.9 . . ?
C26 C25 C32 125.4(3) . . ?
C26 C25 Rh2 71.31(16) . . ?
C32 C25 Rh2 110.28(18) . . ?
C26 C25 H25 113.9 . . ?
C32 C25 H25 113.9 . . ?
Rh2 C25 H25 113.9 . . ?
C25 C26 C27 124.5(3) . . ?
C25 C26 Rh2 70.76(16) . . ?
C27 C26 Rh2 113.21(19) . . ?
C25 C26 H26 113.7 . . ?
C27 C26 H26 113.7 . . ?
Rh2 C26 H26 113.7 . . ?
C26 C27 C28 112.9(2) . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27A 109.0 . . ?
C26 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C29 C28 C27 113.6(2) . . ?
C29 C28 H28A 108.9 . . ?
C27 C28 H28A 108.9 . . ?
C29 C28 H28B 108.9 . . ?
C27 C28 H28B 108.9 . . ?
H28A C28 H28B 107.7 . . ?
C30 C29 C28 123.1(2) . . ?
C30 C29 Rh2 71.49(15) . . ?
C28 C29 Rh2 111.65(18) . . ?
C30 C29 H29 114.4 . . ?
C28 C29 H29 114.4 . . ?
Rh2 C29 H29 114.4 . . ?
C29 C30 C31 122.2(3) . . ?
C29 C30 Rh2 69.88(15) . . ?
C31 C30 Rh2 113.66(18) . . ?
C29 C30 H30 114.5 . . ?
C31 C30 H30 114.5 . . ?
Rh2 C30 H30 114.5 . . ?
C30 C31 C32 111.3(2) . . ?
C30 C31 H31A 109.4 . . ?
C32 C31 H31A 109.4 . . ?
C30 C31 H31B 109.4 . . ?
C32 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
C25 C32 C31 112.6(2) . . ?
C25 C32 H32A 109.1 . . ?
C31 C32 H32A 109.1 . . ?
C25 C32 H32B 109.1 . . ?
C31 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
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 O1 2.0299(18) . ?
Rh1 N1 2.096(2) . ?
Rh1 C9 2.109(3) . ?
Rh1 C10 2.117(3) . ?
Rh1 C13 2.135(3) . ?
Rh1 C14 2.146(2) . ?
Rh2 O2 2.0353(18) . ?
Rh2 N2 2.093(2) . ?
Rh2 C29 2.117(3) . ?
Rh2 C25 2.132(3) . ?
Rh2 C30 2.138(3) . ?
Rh2 C26 2.140(3) . ?
N1 C2 1.296(3) . ?
N1 C1 1.479(3) . ?
N2 C18 1.296(3) . ?
N2 C17 1.474(3) . ?
O1 C4 1.302(3) . ?
O2 C20 1.299(3) . ?
C1 C17 1.535(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.434(3) . ?
C2 H2 0.9500 . ?
C3 C8 1.412(3) . ?
C3 C4 1.415(3) . ?
C4 C5 1.410(4) . ?
C5 C6 1.375(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.394(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.371(4) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.406(4) . ?
C9 C16 1.512(4) . ?
C9 H9 1.0000 . ?
C10 C11 1.527(4) . ?
C10 H10 1.0000 . ?
C11 C12 1.528(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.510(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.393(4) . ?
C13 H13 1.0000 . ?
C14 C15 1.515(4) . ?
C14 H14 1.0000 . ?
C15 C16 1.529(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.430(3) . ?
C18 H18 0.9500 . ?
C19 C24 1.416(4) . ?
C19 C20 1.421(4) . ?
C20 C21 1.422(4) . ?
C21 C22 1.371(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.399(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.367(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.388(4) . ?
C25 C32 1.514(4) . ?
C25 H25 1.0000 . ?
C26 C27 1.520(4) . ?
C26 H26 1.0000 . ?
C27 C28 1.536(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.510(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.407(4) . ?
C29 H29 1.0000 . ?
C30 C31 1.518(4) . ?
C30 H30 1.0000 . ?
C31 C32 1.524(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
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
O1 Rh1 N1 C2 2.1(2) . . . . ?
C9 Rh1 N1 C2 160.3(2) . . . . ?
C10 Rh1 N1 C2 -160.7(2) . . . . ?
C13 Rh1 N1 C2 -74.2(3) . . . . ?
C14 Rh1 N1 C2 83.0(4) . . . . ?
O1 Rh1 N1 C1 -173.91(18) . . . . ?
C9 Rh1 N1 C1 -15.66(19) . . . . ?
C10 Rh1 N1 C1 23.3(2) . . . . ?
C13 Rh1 N1 C1 109.8(3) . . . . ?
C14 Rh1 N1 C1 -93.0(3) . . . . ?
O2 Rh2 N2 C18 6.4(2) . . . . ?
C29 Rh2 N2 C18 -154.0(2) . . . . ?
C25 Rh2 N2 C18 78.7(3) . . . . ?
C30 Rh2 N2 C18 167.4(2) . . . . ?
C26 Rh2 N2 C18 -76.2(4) . . . . ?
O2 Rh2 N2 C17 -172.43(18) . . . . ?
C29 Rh2 N2 C17 27.17(19) . . . . ?
C25 Rh2 N2 C17 -100.2(3) . . . . ?
C30 Rh2 N2 C17 -11.46(19) . . . . ?
C26 Rh2 N2 C17 104.9(3) . . . . ?
N1 Rh1 O1 C4 -15.0(2) . . . . ?
C9 Rh1 O1 C4 -118.4(3) . . . . ?
C10 Rh1 O1 C4 99.7(3) . . . . ?
C13 Rh1 O1 C4 143.6(2) . . . . ?
C14 Rh1 O1 C4 -178.4(2) . . . . ?
N2 Rh2 O2 C20 -13.6(2) . . . . ?
C29 Rh2 O2 C20 87.7(3) . . . . ?
C25 Rh2 O2 C20 -174.5(2) . . . . ?
C30 Rh2 O2 C20 -127.9(3) . . . . ?
C26 Rh2 O2 C20 147.7(2) . . . . ?
C2 N1 C1 C17 30.2(3) . . . . ?
Rh1 N1 C1 C17 -153.50(17) . . . . ?
C1 N1 C2 C3 -175.5(2) . . . . ?
Rh1 N1 C2 C3 8.3(4) . . . . ?
N1 C2 C3 C8 168.5(3) . . . . ?
N1 C2 C3 C4 -9.6(4) . . . . ?
Rh1 O1 C4 C5 -162.0(2) . . . . ?
Rh1 O1 C4 C3 18.0(4) . . . . ?
C8 C3 C4 O1 177.1(2) . . . . ?
C2 C3 C4 O1 -4.8(4) . . . . ?
C8 C3 C4 C5 -2.9(4) . . . . ?
C2 C3 C4 C5 175.2(3) . . . . ?
O1 C4 C5 C6 -178.2(3) . . . . ?
C3 C4 C5 C6 1.8(4) . . . . ?
C4 C5 C6 C7 0.6(5) . . . . ?
C5 C6 C7 C8 -1.7(5) . . . . ?
C6 C7 C8 C3 0.6(4) . . . . ?
C4 C3 C8 C7 1.8(4) . . . . ?
C2 C3 C8 C7 -176.5(3) . . . . ?
O1 Rh1 C9 C10 -161.5(2) . . . . ?
N1 Rh1 C9 C10 95.99(16) . . . . ?
C13 Rh1 C9 C10 -66.11(17) . . . . ?
C14 Rh1 C9 C10 -100.58(17) . . . . ?
O1 Rh1 C9 C16 -41.2(3) . . . . ?
N1 Rh1 C9 C16 -143.74(19) . . . . ?
C10 Rh1 C9 C16 120.3(3) . . . . ?
C13 Rh1 C9 C16 54.2(2) . . . . ?
C14 Rh1 C9 C16 19.69(19) . . . . ?
C16 C9 C10 C11 3.3(4) . . . . ?
Rh1 C9 C10 C11 106.3(3) . . . . ?
C16 C9 C10 Rh1 -103.0(2) . . . . ?
O1 Rh1 C10 C9 158.1(2) . . . . ?
N1 Rh1 C10 C9 -88.31(16) . . . . ?
C13 Rh1 C10 C9 113.82(17) . . . . ?
C14 Rh1 C10 C9 76.67(16) . . . . ?
O1 Rh1 C10 C11 40.0(4) . . . . ?
N1 Rh1 C10 C11 153.6(2) . . . . ?
C9 Rh1 C10 C11 -118.1(3) . . . . ?
C13 Rh1 C10 C11 -4.3(2) . . . . ?
C14 Rh1 C10 C11 -41.4(2) . . . . ?
C9 C10 C11 C12 -93.5(3) . . . . ?
Rh1 C10 C11 C12 -12.4(3) . . . . ?
C10 C11 C12 C13 29.9(3) . . . . ?
C11 C12 C13 C14 48.0(4) . . . . ?
C11 C12 C13 Rh1 -33.1(3) . . . . ?
O1 Rh1 C13 C14 92.11(16) . . . . ?
N1 Rh1 C13 C14 169.5(2) . . . . ?
C9 Rh1 C13 C14 -65.57(17) . . . . ?
C10 Rh1 C13 C14 -100.99(17) . . . . ?
O1 Rh1 C13 C12 -146.8(2) . . . . ?
N1 Rh1 C13 C12 -69.4(3) . . . . ?
C9 Rh1 C13 C12 55.5(2) . . . . ?
C10 Rh1 C13 C12 20.12(19) . . . . ?
C14 Rh1 C13 C12 121.1(3) . . . . ?
C12 C13 C14 C15 3.1(4) . . . . ?
Rh1 C13 C14 C15 105.4(2) . . . . ?
C12 C13 C14 Rh1 -102.4(3) . . . . ?
O1 Rh1 C14 C13 -85.02(16) . . . . ?
N1 Rh1 C14 C13 -166.4(3) . . . . ?
C9 Rh1 C14 C13 114.38(17) . . . . ?
C10 Rh1 C14 C13 76.30(17) . . . . ?
O1 Rh1 C14 C15 156.9(2) . . . . ?
N1 Rh1 C14 C15 75.5(4) . . . . ?
C9 Rh1 C14 C15 -3.7(2) . . . . ?
C10 Rh1 C14 C15 -41.8(2) . . . . ?
C13 Rh1 C14 C15 -118.1(3) . . . . ?
C13 C14 C15 C16 -93.9(3) . . . . ?
Rh1 C14 C15 C16 -12.9(3) . . . . ?
C10 C9 C16 C15 47.9(4) . . . . ?
Rh1 C9 C16 C15 -32.8(3) . . . . ?
C14 C15 C16 C9 29.9(3) . . . . ?
C18 N2 C17 C1 83.0(3) . . . . ?
Rh2 N2 C17 C1 -98.0(2) . . . . ?
N1 C1 C17 N2 156.4(2) . . . . ?
C17 N2 C18 C19 -178.0(2) . . . . ?
Rh2 N2 C18 C19 3.0(4) . . . . ?
N2 C18 C19 C24 170.7(3) . . . . ?
N2 C18 C19 C20 -10.3(4) . . . . ?
Rh2 O2 C20 C19 11.2(4) . . . . ?
Rh2 O2 C20 C21 -168.40(19) . . . . ?
C24 C19 C20 O2 -178.4(2) . . . . ?
C18 C19 C20 O2 2.6(4) . . . . ?
C24 C19 C20 C21 1.3(4) . . . . ?
C18 C19 C20 C21 -177.8(2) . . . . ?
O2 C20 C21 C22 178.1(3) . . . . ?
C19 C20 C21 C22 -1.6(4) . . . . ?
C20 C21 C22 C23 0.4(5) . . . . ?
C21 C22 C23 C24 1.0(5) . . . . ?
C22 C23 C24 C19 -1.3(4) . . . . ?
C20 C19 C24 C23 0.2(4) . . . . ?
C18 C19 C24 C23 179.3(3) . . . . ?
O2 Rh2 C25 C26 -94.02(16) . . . . ?
N2 Rh2 C25 C26 -167.1(2) . . . . ?
C29 Rh2 C25 C26 66.04(17) . . . . ?
C30 Rh2 C25 C26 101.04(17) . . . . ?
O2 Rh2 C25 C32 144.1(2) . . . . ?
N2 Rh2 C25 C32 71.1(4) . . . . ?
C29 Rh2 C25 C32 -55.8(2) . . . . ?
C30 Rh2 C25 C32 -20.8(2) . . . . ?
C26 Rh2 C25 C32 -121.8(3) . . . . ?
C32 C25 C26 C27 -3.4(4) . . . . ?
Rh2 C25 C26 C27 -105.5(3) . . . . ?
C32 C25 C26 Rh2 102.0(3) . . . . ?
O2 Rh2 C26 C25 83.44(16) . . . . ?
N2 Rh2 C26 C25 166.3(2) . . . . ?
C29 Rh2 C26 C25 -113.91(17) . . . . ?
C30 Rh2 C26 C25 -75.95(17) . . . . ?
O2 Rh2 C26 C27 -156.3(2) . . . . ?
N2 Rh2 C26 C27 -73.4(4) . . . . ?
C29 Rh2 C26 C27 6.3(2) . . . . ?
C25 Rh2 C26 C27 120.3(3) . . . . ?
C30 Rh2 C26 C27 44.3(2) . . . . ?
C25 C26 C27 C28 89.6(3) . . . . ?
Rh2 C26 C27 C28 7.6(3) . . . . ?
C26 C27 C28 C29 -24.0(4) . . . . ?
C27 C28 C29 C30 -52.3(4) . . . . ?
C27 C28 C29 Rh2 29.1(3) . . . . ?
O2 Rh2 C29 C30 160.7(2) . . . . ?
N2 Rh2 C29 C30 -98.80(16) . . . . ?
C25 Rh2 C29 C30 65.26(18) . . . . ?
C26 Rh2 C29 C30 99.82(17) . . . . ?
O2 Rh2 C29 C28 41.7(4) . . . . ?
N2 Rh2 C29 C28 142.11(19) . . . . ?
C25 Rh2 C29 C28 -53.8(2) . . . . ?
C30 Rh2 C29 C28 -119.1(3) . . . . ?
C26 Rh2 C29 C28 -19.26(19) . . . . ?
C28 C29 C30 C31 -1.7(4) . . . . ?
Rh2 C29 C30 C31 -105.9(2) . . . . ?
C28 C29 C30 Rh2 104.3(3) . . . . ?
O2 Rh2 C30 C29 -161.4(2) . . . . ?
N2 Rh2 C30 C29 85.80(17) . . . . ?
C25 Rh2 C30 C29 -114.45(18) . . . . ?
C26 Rh2 C30 C29 -77.35(17) . . . . ?
O2 Rh2 C30 C31 -44.1(4) . . . . ?
N2 Rh2 C30 C31 -156.84(19) . . . . ?
C29 Rh2 C30 C31 117.4(3) . . . . ?
C25 Rh2 C30 C31 2.9(2) . . . . ?
C26 Rh2 C30 C31 40.0(2) . . . . ?
C29 C30 C31 C32 95.9(3) . . . . ?
Rh2 C30 C31 C32 15.5(3) . . . . ?
C26 C25 C32 C31 -45.2(4) . . . . ?
Rh2 C25 C32 C31 35.8(3) . . . . ?
C30 C31 C32 C25 -33.7(3) . . . . ?
