#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:36:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180147 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/44/7104468.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_7104468
loop_
_publ_author_name
'Xie, Jian-Hua'
'Zhou, Lei'
'Zavalij, Peter'
'Doyle, Michael P'
'Sun, Yinxin'
'Liu, Yang'
'Sun, Huai'
_publ_section_title
;
 Conformational isomers of extraordinary stability:
 carboxamidate-bridged dimetalloorganic compounds.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3005
_journal_page_last               3007
_journal_paper_doi               10.1039/b904095a
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C32 H54 N6 O4 Rh2, B F4, 2(C2 H3 N)'
_chemical_formula_sum            'C36 H60 B F4 N8 O4 Rh2'
_chemical_formula_weight         961.55
_chemical_name_common            Rh2-complex
_chemical_name_systematic
;
Rh2-complex
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-97 & ZCIF'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.4465(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.381(2)
_cell_length_b                   7.1609(6)
_cell_length_c                   24.440(2)
_cell_measurement_reflns_used    8249
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30.7
_cell_measurement_theta_min      2.7
_cell_volume                     4150.0(6)
_computing_cell_refinement       Apex2
_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_data_reduction        Apex2
_computing_molecular_graphics    'XSHEL (Bruker, 2004)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 11.198
_diffrn_detector_type            'Bruker Smart Apex II'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      366,366,366,720
_diffrn_measurement_device_type  'three-circle diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'glass capillary'
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      -0.0407392
_diffrn_orient_matrix_UB_12      0.0350636
_diffrn_orient_matrix_UB_13      -0.0120117
_diffrn_orient_matrix_UB_21      -0.0026063
_diffrn_orient_matrix_UB_22      -0.0641292
_diffrn_orient_matrix_UB_23      -0.0368613
_diffrn_orient_matrix_UB_31      -0.0105821
_diffrn_orient_matrix_UB_32      -0.1189938
_diffrn_orient_matrix_UB_33      0.0163348
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            19810
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.71
_diffrn_source_current           30.00
_diffrn_source_voltage           50.00
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    not-measured
_exptl_crystal_description       needle
_exptl_crystal_F_000             1980
_exptl_crystal_id                'Doyle/Zhou Rh2 + 8 member ring + CH3CN'
_exptl_crystal_size_max          0.255
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.633
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3653
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.015P)²+25.946P], P=(max(Fo²,0)+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                3296
_reflns_number_total             3653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b904095a.txt
_cod_data_source_block           1710
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      C2/c
_cod_database_code               7104468
#BEGIN Tags that were not found in dictionaries:
_diffrn_measurement_frame_width-ccd -0.5
_diffrn_measurement_total_frames-ccd 1818
_diffrn_measurement_frame_time-ccd 40
_diffrn_measurement_total_time-ccd 23.2
_diffrn_detector_distance-ccd    5.0000
_diffrn_measurement_frame_size-ccd 512
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.263738(10) 0.15140(3) 0.040695(10) 0.01643(8) Uani 1 1 d . . .
N1 N 0.28744(11) -0.0587(4) 0.11101(11) 0.0238(6) Uani 1 1 d . . .
C1 C 0.29874(14) -0.1656(5) 0.14581(15) 0.0289(8) Uani 1 1 d . . .
C2 C 0.31362(19) -0.3003(6) 0.19135(18) 0.0534(12) Uani 1 1 d . . .
H2A H 0.3530 -0.2820 0.2113 0.080 Uiso 1 1 calc R . .
H2B H 0.3087 -0.4271 0.1759 0.080 Uiso 1 1 calc R . .
H2C H 0.2892 -0.2826 0.2176 0.080 Uiso 1 1 calc R . .
O11 O 0.19168(8) 0.5020(3) 0.00286(9) 0.0205(5) Uani 1 1 d . . .
N11 N 0.21831(10) 0.3154(3) 0.08007(10) 0.0184(5) Uani 1 1 d . . .
C11 C 0.19254(12) 0.4644(4) 0.05472(13) 0.0189(6) Uani 1 1 d . . .
C12 C 0.16195(14) 0.6062(4) 0.08260(14) 0.0252(7) Uani 1 1 d . . .
H12A H 0.1620 0.7274 0.0632 0.030 Uiso 1 1 calc R . .
H12B H 0.1833 0.6230 0.1220 0.030 Uiso 1 1 calc R . .
C13 C 0.10082(14) 0.5561(5) 0.08287(15) 0.0328(8) Uani 1 1 d . . .
H13A H 0.0825 0.6695 0.0934 0.039 Uiso 1 1 calc R . .
H13B H 0.0810 0.5234 0.0439 0.039 Uiso 1 1 calc R . .
C14 C 0.09149(15) 0.3973(5) 0.12148(17) 0.0385(9) Uani 1 1 d . . .
H14A H 0.1125 0.4271 0.1603 0.046 Uiso 1 1 calc R . .
H14B H 0.0509 0.3939 0.1216 0.046 Uiso 1 1 calc R . .
C15 C 0.10896(16) 0.2033(5) 0.10671(17) 0.0383(9) Uani 1 1 d . . .
H15A H 0.1082 0.2007 0.0660 0.046 Uiso 1 1 calc R . .
H15B H 0.0805 0.1128 0.1132 0.046 Uiso 1 1 calc R . .
C16 C 0.16694(15) 0.1375(5) 0.13908(14) 0.0311(8) Uani 1 1 d . . .
H16A H 0.1656 0.1155 0.1787 0.037 Uiso 1 1 calc R . .
H16B H 0.1754 0.0165 0.1232 0.037 Uiso 1 1 calc R . .
C17 C 0.21490(13) 0.2728(5) 0.13795(13) 0.0230(7) Uani 1 1 d . . .
H17A H 0.2089 0.3899 0.1573 0.028 Uiso 1 1 calc R . .
H17B H 0.2510 0.2174 0.1586 0.028 Uiso 1 1 calc R . .
O21 O 0.30393(8) 0.5088(3) -0.00810(9) 0.0210(5) Uani 1 1 d . . .
N21 N 0.32969(10) 0.3215(4) 0.06888(10) 0.0187(5) Uani 1 1 d . . .
C21 C 0.33672(12) 0.4714(4) 0.04007(13) 0.0201(7) Uani 1 1 d . . .
C22 C 0.38305(13) 0.6141(4) 0.05949(14) 0.0250(7) Uani 1 1 d . . .
H22A H 0.3904 0.6257 0.1009 0.030 Uiso 1 1 calc R . .
H22B H 0.3696 0.7369 0.0431 0.030 Uiso 1 1 calc R . .
C23 C 0.43858(14) 0.5669(5) 0.04345(15) 0.0314(8) Uani 1 1 d . . .
H23A H 0.4300 0.5381 0.0027 0.038 Uiso 1 1 calc R . .
H23B H 0.4627 0.6798 0.0494 0.038 Uiso 1 1 calc R . .
C24 C 0.47266(14) 0.4048(5) 0.07499(17) 0.0352(9) Uani 1 1 d . . .
H24A H 0.4803 0.4321 0.1158 0.042 Uiso 1 1 calc R . .
H24B H 0.5095 0.4007 0.0645 0.042 Uiso 1 1 calc R . .
C25 C 0.44588(14) 0.2108(5) 0.06513(16) 0.0331(8) Uani 1 1 d . . .
H25A H 0.4182 0.2116 0.0284 0.040 Uiso 1 1 calc R . .
H25B H 0.4757 0.1200 0.0624 0.040 Uiso 1 1 calc R . .
C26 C 0.41625(14) 0.1420(5) 0.10960(15) 0.0323(8) Uani 1 1 d . . .
H26A H 0.4448 0.1212 0.1452 0.039 Uiso 1 1 calc R . .
H26B H 0.3982 0.0203 0.0974 0.039 Uiso 1 1 calc R . .
C27 C 0.37166(13) 0.2758(5) 0.12080(13) 0.0243(7) Uani 1 1 d . . .
H27A H 0.3524 0.2184 0.1481 0.029 Uiso 1 1 calc R . .
H27B H 0.3901 0.3920 0.1377 0.029 Uiso 1 1 calc R . .
N1A N 0.18200(19) 0.7046(7) 0.23776(16) 0.0726(14) Uani 1 1 d . . .
C1A C 0.1358(2) 0.7350(7) 0.23172(16) 0.0487(11) Uani 1 1 d . . .
C2A C 0.0759(2) 0.7708(8) 0.2238(2) 0.0644(14) Uani 1 1 d . . .
H2D H 0.0609 0.8217 0.1860 0.097 Uiso 1 1 calc R . .
H2E H 0.0698 0.8609 0.2520 0.097 Uiso 1 1 calc R . .
H2F H 0.0564 0.6539 0.2280 0.097 Uiso 1 1 calc R . .
B1 B 0.4983(5) 0.7356(9) 0.2504(6) 0.052(2) Uani 1 2 d SDU A -1
F1 F 0.5184(5) 0.9048(10) 0.2438(6) 0.135(4) Uani 0.50 1 d PDU A -1
F2 F 0.4878(7) 0.642(2) 0.2024(6) 0.143(7) Uani 0.50 1 d PDU A -1
F3 F 0.4503(3) 0.7518(15) 0.2667(5) 0.132(3) Uani 0.50 1 d PDU A -1
F4 F 0.5358(6) 0.640(2) 0.2881(7) 0.126(6) Uani 0.50 1 d PDU A -1
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
N21 Rh1 N11 88.15(10) . . ?
N21 Rh1 O11 91.41(9) . 7 ?
N11 Rh1 O11 176.44(9) . 7 ?
N21 Rh1 O21 176.38(9) . 7 ?
N11 Rh1 O21 91.74(9) . 7 ?
O11 Rh1 O21 88.47(8) 7 7 ?
N21 Rh1 N1 95.76(10) . . ?
N11 Rh1 N1 95.58(10) . . ?
O11 Rh1 N1 87.98(9) 7 . ?
O21 Rh1 N1 87.85(9) 7 . ?
N21 Rh1 Rh1 88.53(7) . 7 ?
N11 Rh1 Rh1 88.53(7) . 7 ?
O11 Rh1 Rh1 87.93(6) 7 7 ?
O21 Rh1 Rh1 87.84(6) 7 7 ?
N1 Rh1 Rh1 174.14(7) . 7 ?
C1 N1 Rh1 179.0(3) . . ?
N1 C1 C2 178.9(4) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C11 O11 Rh1 121.13(19) . 7 ?
C11 N11 C17 119.6(3) . . ?
C11 N11 Rh1 120.3(2) . . ?
C17 N11 Rh1 120.09(19) . . ?
O11 C11 N11 121.9(3) . . ?
O11 C11 C12 113.9(3) . . ?
N11 C11 C12 124.3(3) . . ?
C11 C12 C13 115.2(3) . . ?
C11 C12 H12A 108.5 . . ?
C13 C12 H12A 108.5 . . ?
C11 C12 H12B 108.5 . . ?
C13 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
C14 C13 C12 117.4(3) . . ?
C14 C13 H13A 107.9 . . ?
C12 C13 H13A 107.9 . . ?
C14 C13 H13B 107.9 . . ?
C12 C13 H13B 107.9 . . ?
H13A C13 H13B 107.2 . . ?
C15 C14 C13 116.3(3) . . ?
C15 C14 H14A 108.2 . . ?
C13 C14 H14A 108.2 . . ?
C15 C14 H14B 108.2 . . ?
C13 C14 H14B 108.2 . . ?
H14A C14 H14B 107.4 . . ?
C14 C15 C16 115.9(3) . . ?
C14 C15 H15A 108.3 . . ?
C16 C15 H15A 108.3 . . ?
C14 C15 H15B 108.3 . . ?
C16 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
C17 C16 C15 114.6(3) . . ?
C17 C16 H16A 108.6 . . ?
C15 C16 H16A 108.6 . . ?
C17 C16 H16B 108.6 . . ?
C15 C16 H16B 108.6 . . ?
H16A C16 H16B 107.6 . . ?
N11 C17 C16 111.4(3) . . ?
N11 C17 H17A 109.3 . . ?
C16 C17 H17A 109.3 . . ?
N11 C17 H17B 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C21 O21 Rh1 121.33(19) . 7 ?
C21 N21 C27 119.5(3) . . ?
C21 N21 Rh1 120.3(2) . . ?
C27 N21 Rh1 120.2(2) . . ?
O21 C21 N21 121.9(3) . . ?
O21 C21 C22 113.9(3) . . ?
N21 C21 C22 124.2(3) . . ?
C21 C22 C23 114.2(3) . . ?
C21 C22 H22A 108.7 . . ?
C23 C22 H22A 108.7 . . ?
C21 C22 H22B 108.7 . . ?
C23 C22 H22B 108.7 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C22 116.6(3) . . ?
C24 C23 H23A 108.1 . . ?
C22 C23 H23A 108.1 . . ?
C24 C23 H23B 108.1 . . ?
C22 C23 H23B 108.1 . . ?
H23A C23 H23B 107.3 . . ?
C23 C24 C25 116.6(3) . . ?
C23 C24 H24A 108.1 . . ?
C25 C24 H24A 108.1 . . ?
C23 C24 H24B 108.1 . . ?
C25 C24 H24B 108.1 . . ?
H24A C24 H24B 107.3 . . ?
C26 C25 C24 116.0(3) . . ?
C26 C25 H25A 108.3 . . ?
C24 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
C24 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 C27 113.8(3) . . ?
C25 C26 H26A 108.8 . . ?
C27 C26 H26A 108.8 . . ?
C25 C26 H26B 108.8 . . ?
C27 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
N21 C27 C26 111.6(3) . . ?
N21 C27 H27A 109.3 . . ?
C26 C27 H27A 109.3 . . ?
N21 C27 H27B 109.3 . . ?
C26 C27 H27B 109.3 . . ?
H27A C27 H27B 108.0 . . ?
N1A C1A C2A 179.0(6) . . ?
C1A C2A H2D 109.5 . . ?
C1A C2A H2E 109.5 . . ?
H2D C2A H2E 109.5 . . ?
C1A C2A H2F 109.5 . . ?
H2D C2A H2F 109.5 . . ?
H2E C2A H2F 109.5 . . ?
F2 B1 F4 108.3(7) . . ?
F2 B1 F3 108.0(10) . . ?
F4 B1 F3 110.5(10) . . ?
F2 B1 F1 110.8(11) . . ?
F4 B1 F1 109.8(11) . . ?
F3 B1 F1 109.5(9) . . ?
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 N21 2.007(2) . ?
Rh1 N11 2.007(2) . ?
Rh1 O11 2.015(2) 7 ?
Rh1 O21 2.015(2) 7 ?
Rh1 N1 2.256(3) . ?
Rh1 Rh1 2.4041(5) 7 ?
N1 C1 1.130(4) . ?
C1 C2 1.454(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
O11 C11 1.291(4) . ?
O11 Rh1 2.015(2) 7 ?
N11 C11 1.317(4) . ?
N11 C17 1.468(4) . ?
C11 C12 1.513(4) . ?
C12 C13 1.534(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.528(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.521(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.525(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.524(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
O21 C21 1.288(4) . ?
O21 Rh1 2.015(2) 7 ?
N21 C21 1.317(4) . ?
N21 C27 1.470(4) . ?
C21 C22 1.515(4) . ?
C22 C23 1.532(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.528(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.530(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.520(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.521(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
N1A C1A 1.122(6) . ?
C1A C2A 1.452(7) . ?
C2A H2D 0.9800 . ?
C2A H2E 0.9800 . ?
C2A H2F 0.9800 . ?
B1 F2 1.326(9) . ?
B1 F4 1.326(9) . ?
B1 F3 1.326(9) . ?
B1 F1 1.331(8) . ?
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
N21 Rh1 N11 C11 86.2(2) . . . . ?
O21 Rh1 N11 C11 -90.2(2) 7 . . . ?
N1 Rh1 N11 C11 -178.2(2) . . . . ?
Rh1 Rh1 N11 C11 -2.4(2) 7 . . . ?
N21 Rh1 N11 C17 -92.1(2) . . . . ?
O21 Rh1 N11 C17 91.5(2) 7 . . . ?
N1 Rh1 N11 C17 3.5(2) . . . . ?
Rh1 Rh1 N11 C17 179.3(2) 7 . . . ?
Rh1 O11 C11 N11 -6.1(4) 7 . . . ?
Rh1 O11 C11 C12 173.60(19) 7 . . . ?
C17 N11 C11 O11 -176.1(3) . . . . ?
Rh1 N11 C11 O11 5.6(4) . . . . ?
C17 N11 C11 C12 4.3(4) . . . . ?
Rh1 N11 C11 C12 -174.0(2) . . . . ?
O11 C11 C12 C13 96.0(3) . . . . ?
N11 C11 C12 C13 -84.4(4) . . . . ?
C11 C12 C13 C14 71.2(4) . . . . ?
C12 C13 C14 C15 -66.5(4) . . . . ?
C13 C14 C15 C16 97.4(4) . . . . ?
C14 C15 C16 C17 -52.3(4) . . . . ?
C11 N11 C17 C16 94.2(3) . . . . ?
Rh1 N11 C17 C16 -87.5(3) . . . . ?
C15 C16 C17 N11 -56.8(4) . . . . ?
N11 Rh1 N21 C21 -86.7(2) . . . . ?
O11 Rh1 N21 C21 89.8(2) 7 . . . ?
N1 Rh1 N21 C21 177.9(2) . . . . ?
Rh1 Rh1 N21 C21 1.9(2) 7 . . . ?
N11 Rh1 N21 C27 95.6(2) . . . . ?
O11 Rh1 N21 C27 -88.0(2) 7 . . . ?
N1 Rh1 N21 C27 0.1(2) . . . . ?
Rh1 Rh1 N21 C27 -175.9(2) 7 . . . ?
Rh1 O21 C21 N21 4.0(4) 7 . . . ?
Rh1 O21 C21 C22 -176.15(19) 7 . . . ?
C27 N21 C21 O21 173.8(3) . . . . ?
Rh1 N21 C21 O21 -3.9(4) . . . . ?
C27 N21 C21 C22 -6.0(4) . . . . ?
Rh1 N21 C21 C22 176.2(2) . . . . ?
O21 C21 C22 C23 -93.0(3) . . . . ?
N21 C21 C22 C23 86.9(4) . . . . ?
C21 C22 C23 C24 -71.5(4) . . . . ?
C22 C23 C24 C25 65.6(4) . . . . ?
C23 C24 C25 C26 -98.4(4) . . . . ?
C24 C25 C26 C27 54.3(4) . . . . ?
C21 N21 C27 C26 -93.5(3) . . . . ?
Rh1 N21 C27 C26 84.3(3) . . . . ?
C25 C26 C27 N21 55.1(4) . . . . ?
