#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/72/1517273.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_1517273
loop_
_publ_author_name
'Chartrand, Daniel'
'Hanan, Garry S.'
_publ_section_title
;
 Optoelectronic properties and structural effects of the incremental
 addition of pyridyl moieties on a rhodium dimer.
;
_journal_issue                   45
_journal_name_full               'The journal of physical chemistry. A'
_journal_page_first              10340
_journal_page_last               10352
_journal_paper_doi               10.1021/jp502243c
_journal_volume                  118
_journal_year                    2014
_chemical_absolute_configuration rmad
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         '2(C81 H60 Br3 N9 Rh2), 3(C H2 Cl2)'
_chemical_formula_sum            'C82.5 H63 Br3 Cl3 N9 Rh2'
_chemical_formula_weight         1732.32
_chemical_name_systematic
; 
 mono(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-tris(N,N'-diphenyl-4-
bromobenzamidinate) dirhodium, dichloromethane 1.5-solvate
;
_space_group_IT_number           79
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4'
_symmetry_space_group_name_H-M   'I 4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.7855(7)
_cell_length_b                   14.7855(7)
_cell_length_c                   17.6398(9)
_cell_measurement_reflns_used    53250
_cell_measurement_temperature    150
_cell_measurement_theta_max      67.07
_cell_measurement_theta_min      3.90
_cell_volume                     3856.3(3)
_computing_cell_refinement       'SAINT V7.68A(Bruker AXS, 2009)'
_computing_data_collection       'APEX2  (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.68A(Bruker AXS, 2009)'
_computing_molecular_graphics    'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Microstar'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Helios optics'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.054
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            84308
_diffrn_reflns_theta_full        67.35
_diffrn_reflns_theta_max         67.35
_diffrn_reflns_theta_min         3.90
_exptl_absorpt_coefficient_mu    6.625
_exptl_absorpt_correction_T_max  0.5886
_exptl_absorpt_correction_T_min  0.4630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1734
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.047
_refine_diff_density_min         -0.698
_refine_diff_density_rms         0.132
_refine_ls_abs_structure_details 'Flack H D (1983), 1400 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.057(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3198
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0578
_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)+(0.1154P)²+10.0386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1594
_refine_ls_wR_factor_ref         0.1614
_reflns_number_gt                3100
_reflns_number_total             3198
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jp502243c_si_002.cif
_cod_data_source_block           dane34
_cod_depositor_comments
'Adding full bibliography for 1517273--1517276.cif.'
_cod_original_sg_symbol_H-M      I4
_cod_original_formula_sum        'C82.50 H63 Br3 Cl3 N9 Rh2'
_cod_database_code               1517273
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+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 1.0000 0.0000 0.34244(4) 0.0390(3) Uani 1 4 d S . .
Rh2 Rh 1.0000 0.0000 0.47857(4) 0.0395(3) Uani 1 4 d S . .
Br1 Br 0.78713(11) 0.56387(7) 0.41088(13) 0.0950(4) Uani 0.75 1 d P A 1
N1 N 0.9662(4) 0.1342(4) 0.3456(4) 0.0430(12) Uani 1 1 d . . .
N2 N 0.9377(4) 0.1247(4) 0.4744(4) 0.0415(12) Uani 1 1 d . . .
C1 C 0.9358(4) 0.1722(4) 0.4099(6) 0.0458(11) Uani 1 1 d D . .
C2 C 0.8989(4) 0.2657(4) 0.4096(5) 0.0511(12) Uani 1 1 d D . .
C3 C 0.8325(9) 0.2951(8) 0.3592(8) 0.061(2) Uani 0.75 1 d PD A 1
H3 H 0.8087 0.2530 0.3237 0.073 Uiso 0.75 1 calc PR A 1
C4 C 0.7996(9) 0.3834(7) 0.3586(7) 0.069(3) Uani 0.75 1 d PDU A 1
H4 H 0.7516 0.4007 0.3258 0.082 Uiso 0.75 1 calc PR A 1
C5 C 0.8377(8) 0.4426(6) 0.4052(8) 0.062(2) Uani 0.75 1 d PDU A 1
C6 C 0.9020(7) 0.4196(8) 0.4622(7) 0.060(3) Uani 0.75 1 d PDU A 1
H6 H 0.9225 0.4624 0.4985 0.072 Uiso 0.75 1 calc PR A 1
C7 C 0.9331(10) 0.3314(9) 0.4615(8) 0.0528(19) Uani 0.75 1 d PD A 1
H7 H 0.9786 0.3140 0.4967 0.063 Uiso 0.75 1 calc PR A 1
C8 C 0.9950(5) 0.1882(5) 0.2840(4) 0.0482(15) Uani 1 1 d . . .
C9 C 0.9614(6) 0.1684(5) 0.2117(4) 0.0524(17) Uani 1 1 d . . .
H9 H 0.9155 0.1241 0.2051 0.063 Uiso 1 1 calc R . .
C10 C 0.9970(6) 0.2159(7) 0.1488(5) 0.069(2) Uani 1 1 d . . .
H10 H 0.9729 0.2051 0.0997 0.082 Uiso 1 1 calc R . .
C11 C 1.0666(6) 0.2778(6) 0.1576(5) 0.071(2) Uani 1 1 d . . .
H11 H 1.0917 0.3076 0.1147 0.085 Uiso 1 1 calc R . .
C12 C 1.0996(6) 0.2959(5) 0.2307(5) 0.065(2) Uani 1 1 d . . .
H12 H 1.1467 0.3388 0.2374 0.078 Uiso 1 1 calc R . .
C13 C 1.0637(5) 0.2516(5) 0.2933(5) 0.0540(16) Uani 1 1 d . . .
H13 H 1.0861 0.2646 0.3426 0.065 Uiso 1 1 calc R . .
C14 C 0.8806(5) 0.1463(4) 0.5358(4) 0.0463(14) Uani 1 1 d . . .
C15 C 0.7885(5) 0.1532(5) 0.5274(5) 0.0549(16) Uani 1 1 d . . .
H15 H 0.7624 0.1448 0.4787 0.066 Uiso 1 1 calc R . .
C16 C 0.7323(6) 0.1722(6) 0.5893(5) 0.065(2) Uani 1 1 d . . .
H16 H 0.6691 0.1797 0.5821 0.078 Uiso 1 1 calc R . .
C17 C 0.7681(6) 0.1799(6) 0.6585(5) 0.067(2) Uani 1 1 d . . .
H17 H 0.7293 0.1897 0.7006 0.080 Uiso 1 1 calc R . .
C18 C 0.8606(6) 0.1737(6) 0.6700(4) 0.0630(19) Uani 1 1 d . . .
H18 H 0.8855 0.1807 0.7194 0.076 Uiso 1 1 calc R . .
C19 C 0.9170(6) 0.1570(5) 0.6075(4) 0.0531(17) Uani 1 1 d . . .
H19 H 0.9806 0.1530 0.6145 0.064 Uiso 1 1 calc R . .
C3A C 0.8253(18) 0.277(2) 0.3624(18) 0.061(2) Uani 0.25 1 d PD A 2
H3A H 0.8086 0.2327 0.3263 0.073 Uiso 0.25 1 calc P B 2
C4A C 0.777(2) 0.3571(18) 0.3699(18) 0.069(3) Uani 0.25 1 d PD A 2
H4A H 0.7267 0.3664 0.3374 0.082 Uiso 0.25 1 calc P C 2
C5A C 0.7976(17) 0.4241(16) 0.4221(14) 0.062(2) Uani 0.25 1 d PDU A 2
C6A C 0.874(2) 0.410(2) 0.467(2) 0.060(3) Uani 0.25 1 d PD A 2
H6A H 0.8917 0.4550 0.5024 0.072 Uiso 0.25 1 calc P D 2
C7A C 0.924(3) 0.331(2) 0.462(2) 0.0528(19) Uani 0.25 1 d PD A 2
H7A H 0.9741 0.3211 0.4948 0.063 Uiso 0.25 1 calc P E 2
C20 C 0.7299(15) 0.4926(14) 0.4430(11) 0.114(10) Uani 0.25 1 d PDU A 2
C21 C 0.7511(17) 0.5836(14) 0.447(2) 0.130(15) Uiso 0.25 1 d PDU A 2
H21 H 0.8110 0.6032 0.4360 0.156 Uiso 0.25 1 calc P F 2
C22 C 0.685(2) 0.6463(15) 0.466(3) 0.119(15) Uiso 0.25 1 d PDU A 2
H22 H 0.7017 0.7084 0.4670 0.143 Uiso 0.25 1 calc P G 2
N3 N 0.6004(19) 0.625(2) 0.483(2) 0.104(11) Uiso 0.25 1 d PDU A 2
C23 C 0.5800(17) 0.538(2) 0.479(3) 0.132(17) Uiso 0.25 1 d PDU A 2
H23 H 0.5195 0.5200 0.4900 0.159 Uiso 0.25 1 calc P H 2
C24 C 0.6418(17) 0.4703(17) 0.461(3) 0.141(16) Uiso 0.25 1 d PDU A 2
H24 H 0.6234 0.4087 0.4610 0.169 Uiso 0.25 1 calc P I 2
C30 C 1.0000 0.5000 0.6343(12) 0.141(17) Uani 0.75 2 d SPD . .
H30A H 1.0519 0.5160 0.6014 0.170 Uiso 0.375 1 calc PR . .
H30B H 0.9481 0.4840 0.6014 0.170 Uiso 0.375 1 calc PR . .
Cl1 Cl 0.9713(7) 0.5928(4) 0.6927(10) 0.306(9) Uani 0.75 1 d PD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
N1 Rh1 N1 176.9(4) 4_665 3_645
N1 Rh1 N1 89.957(11) 4_665 2_755
N1 Rh1 N1 89.957(12) 3_645 2_755
N1 Rh1 N1 89.957(12) 4_665 .
N1 Rh1 N1 89.957(11) 3_645 .
N1 Rh1 N1 176.9(4) 2_755 .
N1 Rh1 Rh2 88.4(2) 4_665 .
N1 Rh1 Rh2 88.4(2) 3_645 .
N1 Rh1 Rh2 88.4(2) 2_755 .
N1 Rh1 Rh2 88.4(2) . .
N2 Rh2 N2 89.927(15) . 3_645
N2 Rh2 N2 89.926(15) . 4_665
N2 Rh2 N2 175.9(4) 3_645 4_665
N2 Rh2 N2 175.9(4) . 2_755
N2 Rh2 N2 89.927(15) 3_645 2_755
N2 Rh2 N2 89.927(15) 4_665 2_755
N2 Rh2 Rh1 87.9(2) . .
N2 Rh2 Rh1 87.9(2) 3_645 .
N2 Rh2 Rh1 87.9(2) 4_665 .
N2 Rh2 Rh1 87.9(2) 2_755 .
C1 N1 C8 120.9(6) . .
C1 N1 Rh1 120.7(5) . .
C8 N1 Rh1 116.9(5) . .
C1 N2 C14 121.5(6) . .
C1 N2 Rh2 120.6(5) . .
C14 N2 Rh2 116.2(5) . .
N2 C1 N1 119.4(5) . .
N2 C1 C2 120.0(8) . .
N1 C1 C2 120.6(8) . .
C3A C2 C7A 121.7(19) . .
C3 C2 C7 116.5(9) . .
C3A C2 C1 114.1(14) . .
C7A C2 C1 123.0(16) . .
C3 C2 C1 123.4(8) . .
C7 C2 C1 120.0(9) . .
C2 C3 C4 122.9(11) . .
C2 C3 H3 118.6 . .
C4 C3 H3 118.6 . .
C5 C4 C3 117.7(11) . .
C5 C4 H4 121.1 . .
C3 C4 H4 121.1 . .
C4 C5 C6 124.2(9) . .
C4 C5 Br1 118.5(8) . .
C6 C5 Br1 116.2(8) . .
C7 C6 C5 116.2(11) . .
C7 C6 H6 121.9 . .
C5 C6 H6 121.9 . .
C6 C7 C2 121.9(12) . .
C6 C7 H7 119.0 . .
C2 C7 H7 119.0 . .
C13 C8 C9 120.5(7) . .
C13 C8 N1 120.6(7) . .
C9 C8 N1 118.4(7) . .
C8 C9 C10 118.6(8) . .
C8 C9 H9 120.7 . .
C10 C9 H9 120.7 . .
C11 C10 C9 121.1(8) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 119.1(7) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C13 C12 C11 120.5(8) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C8 120.1(8) . .
C12 C13 H13 119.9 . .
C8 C13 H13 119.9 . .
C15 C14 C19 118.4(7) . .
C15 C14 N2 121.9(6) . .
C19 C14 N2 119.7(7) . .
C14 C15 C16 121.2(8) . .
C14 C15 H15 119.4 . .
C16 C15 H15 119.4 . .
C17 C16 C15 119.7(8) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C16 C17 C18 121.3(7) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C17 C18 C19 118.8(8) . .
C17 C18 H18 120.6 . .
C19 C18 H18 120.6 . .
C14 C19 C18 120.5(8) . .
C14 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C2 C3A C4A 117(2) . .
C2 C3A H3A 121.5 . .
C4A C3A H3A 121.5 . .
C3A C4A C5A 124(3) . .
C3A C4A H4A 118.0 . .
C5A C4A H4A 118.0 . .
C4A C5A C6A 116.6(19) . .
C4A C5A C20 120.6(17) . .
C6A C5A C20 120.7(16) . .
C7A C6A C5A 121(3) . .
C7A C6A H6A 119.3 . .
C5A C6A H6A 119.3 . .
C6A C7A C2 119(3) . .
C6A C7A H7A 120.5 . .
C2 C7A H7A 120.5 . .
C24 C20 C21 115.8(6) . .
C24 C20 C5A 122.3(7) . .
C21 C20 C5A 121.9(7) . .
C20 C21 C22 120.1(6) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
N3 C22 C21 124.0(6) . .
N3 C22 H22 118.0 . .
C21 C22 H22 118.0 . .
C23 N3 C22 115.8(6) . .
N3 C23 C24 124.0(6) . .
N3 C23 H23 118.0 . .
C24 C23 H23 118.0 . .
C20 C24 C23 120.2(6) . .
C20 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
Cl1 C30 Cl1 108.8(7) . 2_765
Cl1 C30 H30A 109.9 . .
Cl1 C30 H30A 109.9 2_765 .
Cl1 C30 H30B 109.9 . .
Cl1 C30 H30B 109.9 2_765 .
H30A C30 H30B 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N1 2.047(6) 4_665
Rh1 N1 2.047(6) 3_645
Rh1 N1 2.047(6) 2_755
Rh1 N1 2.047(6) .
Rh1 Rh2 2.4012(9) .
Rh2 N2 2.063(6) .
Rh2 N2 2.063(6) 3_645
Rh2 N2 2.063(6) 4_665
Rh2 N2 2.063(6) 2_755
Br1 C5 1.945(9) .
N1 C1 1.344(11) .
N1 C8 1.414(10) .
N2 C1 1.336(12) .
N2 C14 1.410(10) .
C1 C2 1.486(7) .
C2 C3A 1.380(19) .
C2 C7A 1.388(19) .
C2 C3 1.393(12) .
C2 C7 1.428(12) .
C3 C4 1.394(13) .
C3 H3 0.9500 .
C4 C5 1.327(13) .
C4 H4 0.9500 .
C5 C6 1.425(13) .
C6 C7 1.383(13) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C13 1.393(11) .
C8 C9 1.398(11) .
C9 C10 1.416(11) .
C9 H9 0.9500 .
C10 C11 1.386(14) .
C10 H10 0.9500 .
C11 C12 1.404(14) .
C11 H11 0.9500 .
C12 C13 1.389(11) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.374(11) .
C14 C19 1.384(10) .
C15 C16 1.400(11) .
C15 H15 0.9500 .
C16 C17 1.335(12) .
C16 H16 0.9500 .
C17 C18 1.386(13) .
C17 H17 0.9500 .
C18 C19 1.405(11) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C3A C4A 1.385(19) .
C3A H3A 0.9500 .
C4A C5A 1.386(18) .
C4A H4A 0.9500 .
C5A C6A 1.397(19) .
C5A C20 1.471(5) .
C6A C7A 1.383(19) .
C6A H6A 0.9500 .
C7A H7A 0.9500 .
C20 C24 1.382(5) .
C20 C21 1.383(5) .
C21 C22 1.387(5) .
C21 H21 0.9500 .
C22 N3 1.328(5) .
C22 H22 0.9500 .
N3 C23 1.327(5) .
C23 C24 1.388(5) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C30 Cl1 1.767(5) .
C30 Cl1 1.767(5) 2_765
C30 H30A 0.9900 .
C30 H30B 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_4
N1 Rh1 Rh2 N2 102.4(2) 4_665 .
N1 Rh1 Rh2 N2 -77.6(2) 3_645 .
N1 Rh1 Rh2 N2 -167.6(2) 2_755 .
N1 Rh1 Rh2 N2 12.4(2) . .
N1 Rh1 Rh2 N2 -167.6(2) 4_665 3_645
N1 Rh1 Rh2 N2 12.4(2) 3_645 3_645
N1 Rh1 Rh2 N2 -77.6(2) 2_755 3_645
N1 Rh1 Rh2 N2 102.4(2) . 3_645
N1 Rh1 Rh2 N2 12.4(2) 4_665 4_665
N1 Rh1 Rh2 N2 -167.6(2) 3_645 4_665
N1 Rh1 Rh2 N2 102.4(2) 2_755 4_665
N1 Rh1 Rh2 N2 -77.6(2) . 4_665
N1 Rh1 Rh2 N2 -77.6(2) 4_665 2_755
N1 Rh1 Rh2 N2 102.4(2) 3_645 2_755
N1 Rh1 Rh2 N2 12.4(2) 2_755 2_755
N1 Rh1 Rh2 N2 -167.6(2) . 2_755
N1 Rh1 N1 C1 -103.4(5) 4_665 .
N1 Rh1 N1 C1 73.4(6) 3_645 .
Rh2 Rh1 N1 C1 -15.0(5) . .
N1 Rh1 N1 C8 62.8(6) 4_665 .
N1 Rh1 N1 C8 -120.4(4) 3_645 .
Rh2 Rh1 N1 C8 151.2(5) . .
N2 Rh2 N2 C1 -102.4(5) 3_645 .
N2 Rh2 N2 C1 73.5(6) 4_665 .
Rh1 Rh2 N2 C1 -14.5(5) . .
N2 Rh2 N2 C14 63.0(6) 3_645 .
N2 Rh2 N2 C14 -121.1(4) 4_665 .
Rh1 Rh2 N2 C14 151.0(5) . .
C14 N2 C1 N1 -157.7(6) . .
Rh2 N2 C1 N1 7.0(8) . .
C14 N2 C1 C2 21.4(9) . .
Rh2 N2 C1 C2 -173.9(4) . .
C8 N1 C1 N2 -157.7(6) . .
Rh1 N1 C1 N2 7.9(8) . .
C8 N1 C1 C2 23.2(9) . .
Rh1 N1 C1 C2 -171.1(4) . .
N2 C1 C2 C3A -119.7(16) . .
N1 C1 C2 C3A 59.3(17) . .
N2 C1 C2 C7A 48(2) . .
N1 C1 C2 C7A -133(2) . .
N2 C1 C2 C3 -128.2(11) . .
N1 C1 C2 C3 50.9(11) . .
N2 C1 C2 C7 53.5(12) . .
N1 C1 C2 C7 -127.4(11) . .
C7 C2 C3 C4 -0.4(17) . .
C1 C2 C3 C4 -178.8(11) . .
C2 C3 C4 C5 4(2) . .
C3 C4 C5 C6 -8(2) . .
C3 C4 C5 Br1 -175.5(10) . .
C4 C5 C6 C7 8(2) . .
Br1 C5 C6 C7 175.5(10) . .
C5 C6 C7 C2 -3.5(19) . .
C3 C2 C7 C6 0.2(18) . .
C1 C2 C7 C6 178.7(11) . .
C1 N1 C8 C13 57.4(9) . .
Rh1 N1 C8 C13 -108.8(7) . .
C1 N1 C8 C9 -130.8(7) . .
Rh1 N1 C8 C9 63.0(8) . .
C13 C8 C9 C10 -1.6(11) . .
N1 C8 C9 C10 -173.5(7) . .
C8 C9 C10 C11 2.8(12) . .
C9 C10 C11 C12 -2.4(13) . .
C10 C11 C12 C13 0.8(12) . .
C11 C12 C13 C8 0.4(12) . .
C9 C8 C13 C12 0.0(11) . .
N1 C8 C13 C12 171.7(7) . .
C1 N2 C14 C15 53.8(9) . .
Rh2 N2 C14 C15 -111.5(7) . .
C1 N2 C14 C19 -129.1(7) . .
Rh2 N2 C14 C19 65.5(7) . .
C19 C14 C15 C16 1.2(11) . .
N2 C14 C15 C16 178.3(7) . .
C14 C15 C16 C17 -3.1(13) . .
C15 C16 C17 C18 3.2(14) . .
C16 C17 C18 C19 -1.5(14) . .
C15 C14 C19 C18 0.5(11) . .
N2 C14 C19 C18 -176.6(7) . .
C17 C18 C19 C14 -0.4(12) . .
C7A C2 C3A C4A 0.0(15) . .
C1 C2 C3A C4A 168.0(10) . .
C2 C3A C4A C5A -0.8(14) . .
C3A C4A C5A C6A 2(3) . .
C3A C4A C5A C20 -161.5(15) . .
C4A C5A C6A C7A -3(4) . .
C20 C5A C6A C7A 161(2) . .
C5A C6A C7A C2 2(4) . .
C3A C2 C7A C6A -1(3) . .
C3 C2 C7A C6A 9(4) . .
C7 C2 C7A C6A 134(26) . .
C1 C2 C7A C6A -167(2) . .
C4A C5A C20 C24 47(3) . .
C6A C5A C20 C24 -116(3) . .
C4A C5A C20 C21 -134(3) . .
C6A C5A C20 C21 63(3) . .
C24 C20 C21 C22 -1.4(19) . .
C5A C20 C21 C22 179.4(14) . .
C20 C21 C22 N3 1(3) . .
C21 C22 N3 C23 -1(4) . .
C22 N3 C23 C24 1(4) . .
C21 C20 C24 C23 2(3) . .
C5A C20 C24 C23 -179.1(18) . .
N3 C23 C24 C20 -2(4) . .
