#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/28/4312816.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_4312816
loop_
_publ_author_name
'Karl M. Kadish'
'Tuan D. Phan'
'Lingamallu Giribabu'
'Eric Van Caemelbecke'
'John L. Bear'
_publ_section_title
;
 Substituent and Isomer Effects on Structural, Spectroscopic, and
 Electrochemical Properties of Dirhodium(III,II) Complexes Containing Four
 Identical Unsymmetrical Bridging Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8663
_journal_page_last               8673
_journal_paper_doi               10.1021/ic034963l
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C44 H28 N8 F8 Cl Rh2, 2 C H2 Cl2'
_chemical_formula_sum            'C46 H32 Cl5 F8 N8 Rh2'
_chemical_formula_weight         1231.87
_chemical_name_systematic
; 
 ? 
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 109.245(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.4773(10)
_cell_length_b                   15.0962(7)
_cell_length_c                   16.9620(8)
_cell_measurement_reflns_used    5606
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.51
_cell_measurement_theta_min      1.75
_cell_volume                     4708.7(4)
_computing_cell_refinement       'Bruker SAINT software (Bruker, 1999)'
_computing_data_collection       'Siemens SMART software (Siemens, 1996)'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 1K
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       CCD
_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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10896
_diffrn_reflns_theta_full        23.51
_diffrn_reflns_theta_max         23.51
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    1.061
_exptl_absorpt_correction_T_max  0.9261
_exptl_absorpt_correction_T_min  0.7056
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Very dark carmine'
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Flat column'
_exptl_crystal_F_000             2444
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         3480
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.209
_refine_ls_shift/su_mean         0.021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0527P)²+34.0625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                2560
_reflns_number_total             3633
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic034963lsi20030917_093727.cif
_cod_data_source_block           k811
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C46 H32 N8 F8 Cl5 Rh2'
_cod_database_code               4312816
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 0.5000 0.41960(4) 0.7500 0.03672(19) Uani 1 2 d S . .
Rh2 Rh 0.5000 0.25958(4) 0.7500 0.03512(19) Uani 1 2 d S . .
Cl1 Cl 0.5000 0.58290(14) 0.7500 0.0619(6) Uani 1 2 d S . .
N1 N 0.4020(2) 0.4114(3) 0.6553(3) 0.0390(10) Uani 1 1 d . . .
N2 N 0.4345(2) 0.2682(3) 0.6291(3) 0.0396(10) Uani 1 1 d . . .
N3 N 0.5552(2) 0.4109(3) 0.6655(3) 0.0411(10) Uani 1 1 d . . .
N4 N 0.5884(2) 0.2662(3) 0.7135(3) 0.0396(10) Uani 1 1 d D . .
C1 C 0.3516(3) 0.4769(4) 0.6406(4) 0.0476(14) Uani 1 1 d . . .
H1 H 0.3610 0.5256 0.6772 0.057 Uiso 1 1 calc R . .
C2 C 0.2879(3) 0.4752(5) 0.5751(4) 0.0557(16) Uani 1 1 d . . .
H2 H 0.2540 0.5213 0.5674 0.067 Uiso 1 1 calc R . .
C3 C 0.2742(3) 0.4043(5) 0.5202(4) 0.0544(16) Uani 1 1 d . A .
H3 H 0.2316 0.4028 0.4734 0.065 Uiso 1 1 calc R . .
C4 C 0.3235(3) 0.3363(4) 0.5351(3) 0.0484(14) Uani 1 1 d . . .
H4 H 0.3147 0.2880 0.4982 0.058 Uiso 1 1 calc R A .
C5 C 0.3876(3) 0.3384(4) 0.6059(3) 0.0397(12) Uani 1 1 d . A .
C6 C 0.4380(4) 0.2145(4) 0.5595(3) 0.043(3) Uiso 0.65 1 d PG A 1
C7 C 0.4543(4) 0.2489(3) 0.4918(4) 0.044(2) Uiso 0.65 1 d PG A 1
C8 C 0.4565(4) 0.1934(4) 0.4272(3) 0.056(2) Uiso 0.65 1 d PG A 1
H8 H 0.4677 0.2172 0.3805 0.068 Uiso 0.65 1 d PG A 1
C9 C 0.4423(4) 0.1035(4) 0.4304(4) 0.060(3) Uiso 0.65 1 d PG A 1
H9 H 0.4438 0.0652 0.3858 0.072 Uiso 0.65 1 d PG A 1
C10 C 0.4260(4) 0.0691(3) 0.4982(4) 0.060(3) Uiso 0.65 1 d PG A 1
H10 H 0.4162 0.0069 0.5004 0.072 Uiso 0.65 1 d PG A 1
C11 C 0.4238(4) 0.1245(4) 0.5627(4) 0.043(2) Uiso 0.65 1 d PG A 1
F1 F 0.4678(4) 0.3336(5) 0.4904(4) 0.0575(18) Uiso 0.65 1 d P A 1
F2 F 0.4070(3) 0.0879(4) 0.6253(5) 0.0594(17) Uiso 0.65 1 d P A 1
C6' C 0.4311(7) 0.1963(7) 0.5717(6) 0.030(4) Uiso 0.35 1 d PG A 2
C7' C 0.4411(7) 0.2203(6) 0.4971(7) 0.041(4) Uiso 0.35 1 d PG A 2
C8' C 0.4389(8) 0.1562(8) 0.4375(6) 0.069(5) Uiso 0.35 1 d PG A 2
H8' H 0.4458 0.1728 0.3860 0.082 Uiso 0.35 1 d PG A 2
C9' C 0.4266(8) 0.0681(8) 0.4525(7) 0.060(5) Uiso 0.35 1 d PG A 2
H9' H 0.4251 0.0238 0.4113 0.072 Uiso 0.35 1 d PG A 2
C10' C 0.4166(8) 0.0441(6) 0.5271(9) 0.071(6) Uiso 0.35 1 d PG A 2
H10' H 0.4082 -0.0168 0.5374 0.086 Uiso 0.35 1 d PG A 2
C11' C 0.4189(8) 0.1082(8) 0.5867(7) 0.067(6) Uiso 0.35 1 d PG A 2
F1' F 0.4510(7) 0.3068(10) 0.4780(8) 0.069(4) Uiso 0.35 1 d P A 2
F2' F 0.4135(8) 0.0884(9) 0.6612(10) 0.081(4) Uiso 0.35 1 d P A 2
C12 C 0.5555(3) 0.4778(4) 0.6127(3) 0.0506(14) Uani 1 1 d . . .
H12 H 0.5268 0.5280 0.6121 0.061 Uiso 1 1 calc R . .
C13 C 0.5958(3) 0.4759(5) 0.5598(4) 0.0624(17) Uani 1 1 d . . .
H13 H 0.5944 0.5233 0.5234 0.075 Uiso 1 1 calc R . .
C14 C 0.6385(4) 0.4021(5) 0.5617(4) 0.0675(19) Uani 1 1 d . A .
H14 H 0.6673 0.3995 0.5269 0.081 Uiso 1 1 calc R . .
C15 C 0.6389(3) 0.3337(5) 0.6135(4) 0.0590(17) Uani 1 1 d . . .
H15 H 0.6683 0.2839 0.6149 0.071 Uiso 1 1 calc R A .
C16 C 0.5951(3) 0.3371(4) 0.6655(3) 0.0435(13) Uani 1 1 d . A .
C17 C 0.6427(4) 0.1947(5) 0.7408(6) 0.046(5) Uiso 0.50 1 d PGD A 1
C18 C 0.7155(4) 0.2175(4) 0.7770(6) 0.033(3) Uiso 0.50 1 d PG A 1
C19 C 0.7685(3) 0.1519(6) 0.7980(6) 0.046(3) Uiso 0.50 1 d PG A 1
H19 H 0.8188 0.1676 0.8230 0.056 Uiso 0.50 1 d PG A 1
C20 C 0.7487(4) 0.0634(5) 0.7828(6) 0.057(4) Uiso 0.50 1 d PG A 1
H20 H 0.7853 0.0181 0.7973 0.068 Uiso 0.50 1 d PG A 1
C21 C 0.6759(5) 0.0407(4) 0.7466(6) 0.069(4) Uiso 0.50 1 d PG A 1
H21 H 0.6622 -0.0204 0.7361 0.082 Uiso 0.50 1 d PG A 1
C22 C 0.6229(3) 0.1063(6) 0.7256(6) 0.060(4) Uiso 0.50 1 d PG A 1
F3 F 0.7351(5) 0.3002(7) 0.8011(6) 0.062(3) Uiso 0.50 1 d P A 1
F4 F 0.5593(4) 0.0842(4) 0.6974(5) 0.0509(18) Uiso 0.50 1 d P A 1
C17' C 0.6503(4) 0.2090(5) 0.7338(6) 0.032(3) Uiso 0.50 1 d PGD A 2
C18' C 0.7201(5) 0.2384(5) 0.7776(7) 0.061(5) Uiso 0.50 1 d PG A 2
C19' C 0.7775(3) 0.1786(6) 0.8016(7) 0.062(4) Uiso 0.50 1 d PG A 2
H19' H 0.8257 0.1990 0.8319 0.075 Uiso 0.50 1 d PG A 2
C20' C 0.7652(4) 0.0894(6) 0.7819(6) 0.058(4) Uiso 0.50 1 d PG A 2
H20' H 0.8048 0.0481 0.7985 0.069 Uiso 0.50 1 d PG A 2
C21' C 0.6954(5) 0.0600(4) 0.7381(6) 0.061(4) Uiso 0.50 1 d PG A 2
H21' H 0.6868 -0.0017 0.7244 0.073 Uiso 0.50 1 d PG A 2
C22' C 0.6379(3) 0.1198(6) 0.7141(6) 0.044(3) Uiso 0.50 1 d PG A 2
F3' F 0.7328(6) 0.3241(7) 0.7901(7) 0.065(3) Uiso 0.50 1 d P A 2
F4' F 0.5685(4) 0.0930(5) 0.6639(6) 0.069(2) Uiso 0.50 1 d P A 2
C23 C 0.3847(13) 0.2323(11) 0.175(2) 0.070(6) Uiso 0.20 1 d PG B 1
Cl11 Cl 0.3822(8) 0.1210(8) 0.1450(11) 0.110 Uiso 0.20 1 d PG B 1
Cl12 Cl 0.3074(8) 0.2910(8) 0.1154(10) 0.110 Uiso 0.20 1 d PG B 1
C24 C 0.335(3) 0.185(5) 0.153(2) 0.070(6) Uiso 0.10 1 d PG C 2
Cl13 Cl 0.4066(16) 0.111(2) 0.1987(17) 0.110 Uiso 0.10 1 d PG C 2
Cl14 Cl 0.3176(16) 0.197(2) 0.0455(17) 0.110 Uiso 0.10 1 d PG C 2
C25 C 0.3957(9) 0.230(2) 0.1117(18) 0.070(6) Uiso 0.20 1 d PG D 3
Cl15 Cl 0.4214(9) 0.1581(10) 0.1973(9) 0.110 Uiso 0.20 1 d PG D 3
Cl16 Cl 0.3045(8) 0.2625(10) 0.0838(9) 0.110 Uiso 0.20 1 d PG D 3
C26 C 0.4231(14) 0.232(2) 0.158(3) 0.070(6) Uiso 0.15 1 d PG E 4
Cl17 Cl 0.3367(9) 0.2509(12) 0.1648(12) 0.110 Uiso 0.15 1 d PG E 4
Cl18 Cl 0.4665(9) 0.1404(12) 0.2173(13) 0.110 Uiso 0.15 1 d PG . 4
C27 C 0.376(2) 0.202(3) 0.1909(12) 0.070(6) Uiso 0.15 1 d PG F 5
Cl19 Cl 0.4426(11) 0.1202(15) 0.2064(14) 0.110 Uiso 0.15 1 d PG . 5
Cl20 Cl 0.3284(11) 0.2211(16) 0.0851(13) 0.110 Uiso 0.15 1 d PG F 5
C28 C 0.3505(14) 0.1605(18) 0.0319(16) 0.080(6) Uiso 0.35 1 d P G 6
C29 C 0.378(3) 0.253(3) 0.128(3) 0.096(12) Uiso 0.25 1 d P G 6
C30 C 0.3611(15) 0.1305(18) 0.085(2) 0.087(7) Uiso 0.35 1 d P G 6
C31 C 0.327(4) 0.184(5) 0.116(4) 0.089(19) Uiso 0.15 1 d P G 6
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Rh1 N1 173.1(2) . 2_656 ?
N1 Rh1 N3 88.68(16) . 2_656 ?
N1 Rh1 N3 90.88(16) 2_656 2_656 ?
N1 Rh1 N3 90.88(16) . . ?
N1 Rh1 N3 88.68(16) 2_656 . ?
N3 Rh1 N3 172.7(3) 2_656 . ?
N1 Rh1 Rh2 86.54(12) . . ?
N1 Rh1 Rh2 86.54(12) 2_656 . ?
N3 Rh1 Rh2 86.36(13) 2_656 . ?
N3 Rh1 Rh2 86.36(13) . . ?
N1 Rh1 Cl1 93.46(12) . . ?
N1 Rh1 Cl1 93.46(12) 2_656 . ?
N3 Rh1 Cl1 93.64(13) 2_656 . ?
N3 Rh1 Cl1 93.64(13) . . ?
Rh2 Rh1 Cl1 180.0 . . ?
N4 Rh2 N4 174.3(2) 2_656 . ?
N4 Rh2 N2 90.17(16) 2_656 2_656 ?
N4 Rh2 N2 89.46(17) . 2_656 ?
N4 Rh2 N2 89.46(17) 2_656 . ?
N4 Rh2 N2 90.17(16) . . ?
N2 Rh2 N2 172.7(3) 2_656 . ?
N4 Rh2 Rh1 87.15(11) 2_656 . ?
N4 Rh2 Rh1 87.15(11) . . ?
N2 Rh2 Rh1 86.33(13) 2_656 . ?
N2 Rh2 Rh1 86.33(13) . . ?
C1 N1 C5 119.3(5) . . ?
C1 N1 Rh1 121.9(4) . . ?
C5 N1 Rh1 118.8(3) . . ?
C5 N2 C6' 120.7(6) . . ?
C5 N2 C6 113.9(5) . . ?
C6' N2 C6 15.6(5) . . ?
C5 N2 Rh2 118.5(3) . . ?
C6' N2 Rh2 120.4(6) . . ?
C6 N2 Rh2 127.1(4) . . ?
C12 N3 C16 119.0(5) . . ?
C12 N3 Rh1 122.1(4) . . ?
C16 N3 Rh1 118.8(3) . . ?
C16 N4 C17' 112.0(6) . . ?
C16 N4 C17 123.8(6) . . ?
C17' N4 C17 12.0(7) . . ?
C16 N4 Rh2 118.5(3) . . ?
C17' N4 Rh2 129.4(5) . . ?
C17 N4 Rh2 117.6(5) . . ?
N1 C1 C2 122.8(6) . . ?
C1 C2 C3 119.0(6) . . ?
C4 C3 C2 119.1(5) . . ?
C3 C4 C5 120.5(6) . . ?
N1 C5 N2 118.0(4) . . ?
N1 C5 C4 119.1(5) . . ?
N2 C5 C4 122.9(5) . . ?
C11 C6 C7 120.0 . . ?
C11 C6 N2 116.8(4) . . ?
C7 C6 N2 123.2(4) . . ?
F1 C7 C8 121.2(5) . . ?
F1 C7 C6 118.8(5) . . ?
C8 C7 C6 120.0 . . ?
C9 C8 C7 120.0 . . ?
C10 C9 C8 120.0 . . ?
C11 C10 C9 120.0 . . ?
F2 C11 C10 117.2(5) . . ?
F2 C11 C6 122.8(5) . . ?
C10 C11 C6 120.0 . . ?
C7' C6' C11' 120.0 . . ?
C7' C6' N2 115.4(8) . . ?
C11' C6' N2 124.6(8) . . ?
F1' C7' C8' 117.6(9) . . ?
F1' C7' C6' 122.4(9) . . ?
C8' C7' C6' 120.0 . . ?
C9' C8' C7' 120.0 . . ?
C8' C9' C10' 120.0 . . ?
C11' C10' C9' 120.0 . . ?
F2' C11' C10' 122.6(10) . . ?
F2' C11' C6' 117.3(10) . . ?
C10' C11' C6' 120.0 . . ?
N3 C12 C13 123.1(6) . . ?
C12 C13 C14 118.1(6) . . ?
C15 C14 C13 120.3(6) . . ?
C14 C15 C16 120.0(6) . . ?
N3 C16 N4 118.1(4) . . ?
N3 C16 C15 119.5(5) . . ?
N4 C16 C15 122.3(5) . . ?
C22 C17 C18 120.0 . . ?
C22 C17 N4 121.2(6) . . ?
C18 C17 N4 118.6(6) . . ?
F3 C18 C19 118.5(7) . . ?
F3 C18 C17 121.0(7) . . ?
C19 C18 C17 120.0 . . ?
C18 C19 C20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C20 C21 C22 120.0 . . ?
F4 C22 C21 118.6(7) . . ?
F4 C22 C17 121.3(7) . . ?
C21 C22 C17 120.0 . . ?
C22' C17' C18' 120.0 . . ?
C22' C17' N4 117.5(6) . . ?
C18' C17' N4 122.3(6) . . ?
F3' C18' C19' 119.9(8) . . ?
F3' C18' C17' 119.9(8) . . ?
C19' C18' C17' 120.0 . . ?
C20' C19' C18' 120.0 . . ?
C19' C20' C21' 120.0 . . ?
C20' C21' C22' 120.0 . . ?
C17' C22' C21' 120.0 . . ?
C17' C22' F4' 118.9(6) . . ?
C21' C22' F4' 120.9(6) . . ?
Cl12 C23 Cl11 112.6 . . ?
Cl14 C24 Cl13 112.6 . . ?
Cl16 C25 Cl15 112.6 . . ?
Cl18 C26 Cl17 112.6 . . ?
Cl19 C27 Cl20 112.6 . . ?
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 N1 2.054(4) . ?
Rh1 N1 2.054(4) 2_656 ?
Rh1 N3 2.060(4) 2_656 ?
Rh1 N3 2.060(4) . ?
Rh1 Rh2 2.4157(8) . ?
Rh1 Cl1 2.465(2) . ?
Rh2 N4 2.015(4) 2_656 ?
Rh2 N4 2.015(4) . ?
Rh2 N2 2.031(4) 2_656 ?
Rh2 N2 2.031(4) . ?
N1 C1 1.357(7) . ?
N1 C5 1.356(7) . ?
N2 C5 1.370(7) . ?
N2 C6' 1.445(9) . ?
N2 C6 1.452(6) . ?
N3 C12 1.351(7) . ?
N3 C16 1.359(7) . ?
N4 C16 1.377(7) . ?
N4 C17' 1.429(4) . ?
N4 C17 1.474(4) . ?
C1 C2 1.366(8) . ?
C2 C3 1.385(9) . ?
C3 C4 1.370(8) . ?
C4 C5 1.419(7) . ?
C6 C11 1.3901 . ?
C6 C7 1.3901 . ?
C7 F1 1.307(9) . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3897 . ?
C11 F2 1.330(9) . ?
C6' C7' 1.3900 . ?
C6' C11' 1.3901 . ?
C7' F1' 1.373(18) . ?
C7' C8' 1.3899 . ?
C8' C9' 1.3899 . ?
C9' C10' 1.3900 . ?
C10' C11' 1.3898 . ?
C11' F2' 1.337(18) . ?
C12 C13 1.372(8) . ?
C13 C14 1.384(10) . ?
C14 C15 1.354(9) . ?
C15 C16 1.416(8) . ?
C17 C22 1.3900 . ?
C17 C18 1.3901 . ?
C18 F3 1.329(13) . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3899 . ?
C21 C22 1.3900 . ?
C22 F4 1.217(9) . ?
C17' C22' 1.3900 . ?
C17' C18' 1.3900 . ?
C18' F3' 1.321(13) . ?
C18' C19' 1.3900 . ?
C19' C20' 1.3899 . ?
C20' C21' 1.3900 . ?
C21' C22' 1.3901 . ?
C22' F4' 1.399(10) . ?
C23 Cl12 1.7499 . ?
C23 Cl11 1.7501 . ?
C24 Cl14 1.7498 . ?
C24 Cl13 1.7501 . ?
C25 Cl16 1.7501 . ?
C25 Cl15 1.7502 . ?
C26 Cl18 1.7500 . ?
C26 Cl17 1.7501 . ?
C27 Cl19 1.7498 . ?
C27 Cl20 1.7501 . ?
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
N1 Rh1 Rh2 N4 -64.58(16) . . . 2_656 ?
N1 Rh1 Rh2 N4 115.42(16) 2_656 . . 2_656 ?
N3 Rh1 Rh2 N4 24.32(16) 2_656 . . 2_656 ?
N3 Rh1 Rh2 N4 -155.68(16) . . . 2_656 ?
Cl1 Rh1 Rh2 N4 -17(26) . . . 2_656 ?
N1 Rh1 Rh2 N4 115.42(16) . . . . ?
N1 Rh1 Rh2 N4 -64.58(16) 2_656 . . . ?
N3 Rh1 Rh2 N4 -155.68(16) 2_656 . . . ?
N3 Rh1 Rh2 N4 24.32(16) . . . . ?
Cl1 Rh1 Rh2 N4 163(31) . . . . ?
N1 Rh1 Rh2 N2 -154.94(17) . . . 2_656 ?
N1 Rh1 Rh2 N2 25.06(17) 2_656 . . 2_656 ?
N3 Rh1 Rh2 N2 -66.04(17) 2_656 . . 2_656 ?
N3 Rh1 Rh2 N2 113.96(17) . . . 2_656 ?
Cl1 Rh1 Rh2 N2 -107(26) . . . 2_656 ?
N1 Rh1 Rh2 N2 25.06(17) . . . . ?
N1 Rh1 Rh2 N2 -154.94(17) 2_656 . . . ?
N3 Rh1 Rh2 N2 113.96(17) 2_656 . . . ?
N3 Rh1 Rh2 N2 -66.04(17) . . . . ?
Cl1 Rh1 Rh2 N2 73(31) . . . . ?
N1 Rh1 N1 C1 153.9(4) 2_656 . . . ?
N3 Rh1 N1 C1 67.4(4) 2_656 . . . ?
N3 Rh1 N1 C1 -119.8(4) . . . . ?
Rh2 Rh1 N1 C1 153.9(4) . . . . ?
Cl1 Rh1 N1 C1 -26.1(4) . . . . ?
N1 Rh1 N1 C5 -26.4(4) 2_656 . . . ?
N3 Rh1 N1 C5 -112.8(4) 2_656 . . . ?
N3 Rh1 N1 C5 59.9(4) . . . . ?
Rh2 Rh1 N1 C5 -26.4(4) . . . . ?
Cl1 Rh1 N1 C5 153.6(4) . . . . ?
N4 Rh2 N2 C5 55.1(4) 2_656 . . . ?
N4 Rh2 N2 C5 -119.2(4) . . . . ?
N2 Rh2 N2 C5 -32.1(4) 2_656 . . . ?
Rh1 Rh2 N2 C5 -32.1(4) . . . . ?
N4 Rh2 N2 C6' -117.3(7) 2_656 . . . ?
N4 Rh2 N2 C6' 68.4(7) . . . . ?
N2 Rh2 N2 C6' 155.5(7) 2_656 . . . ?
Rh1 Rh2 N2 C6' 155.5(7) . . . . ?
N4 Rh2 N2 C6 -134.2(5) 2_656 . . . ?
N4 Rh2 N2 C6 51.5(5) . . . . ?
N2 Rh2 N2 C6 138.6(5) 2_656 . . . ?
Rh1 Rh2 N2 C6 138.6(5) . . . . ?
N1 Rh1 N3 C12 71.0(4) . . . . ?
N1 Rh1 N3 C12 -115.9(4) 2_656 . . . ?
N3 Rh1 N3 C12 157.5(4) 2_656 . . . ?
Rh2 Rh1 N3 C12 157.5(4) . . . . ?
Cl1 Rh1 N3 C12 -22.5(4) . . . . ?
N1 Rh1 N3 C16 -112.0(4) . . . . ?
N1 Rh1 N3 C16 61.1(4) 2_656 . . . ?
N3 Rh1 N3 C16 -25.5(4) 2_656 . . . ?
Rh2 Rh1 N3 C16 -25.5(4) . . . . ?
Cl1 Rh1 N3 C16 154.5(4) . . . . ?
N4 Rh2 N4 C16 -30.9(4) 2_656 . . . ?
N2 Rh2 N4 C16 -117.2(4) 2_656 . . . ?
N2 Rh2 N4 C16 55.4(4) . . . . ?
Rh1 Rh2 N4 C16 -30.9(4) . . . . ?
N4 Rh2 N4 C17' 145.4(6) 2_656 . . . ?
N2 Rh2 N4 C17' 59.1(6) 2_656 . . . ?
N2 Rh2 N4 C17' -128.2(6) . . . . ?
Rh1 Rh2 N4 C17' 145.4(6) . . . . ?
N4 Rh2 N4 C17 148.6(5) 2_656 . . . ?
N2 Rh2 N4 C17 62.2(5) 2_656 . . . ?
N2 Rh2 N4 C17 -125.1(5) . . . . ?
Rh1 Rh2 N4 C17 148.6(5) . . . . ?
C5 N1 C1 C2 -3.6(8) . . . . ?
Rh1 N1 C1 C2 176.1(4) . . . . ?
N1 C1 C2 C3 -1.0(9) . . . . ?
C1 C2 C3 C4 2.6(9) . . . . ?
C2 C3 C4 C5 0.2(8) . . . . ?
C1 N1 C5 N2 -170.9(5) . . . . ?
Rh1 N1 C5 N2 9.3(6) . . . . ?
C1 N1 C5 C4 6.3(7) . . . . ?
Rh1 N1 C5 C4 -173.4(4) . . . . ?
C6' N2 C5 N1 -167.4(7) . . . . ?
C6 N2 C5 N1 -151.6(5) . . . . ?
Rh2 N2 C5 N1 20.3(6) . . . . ?
C6' N2 C5 C4 15.5(9) . . . . ?
C6 N2 C5 C4 31.3(7) . . . . ?
Rh2 N2 C5 C4 -156.8(4) . . . . ?
C3 C4 C5 N1 -4.7(8) . . . . ?
C3 C4 C5 N2 172.4(5) . . . . ?
C5 N2 C6 C11 -124.5(5) . . . . ?
C6' N2 C6 C11 -5(3) . . . . ?
Rh2 N2 C6 C11 64.5(6) . . . . ?
C5 N2 C6 C7 55.3(6) . . . . ?
C6' N2 C6 C7 175(3) . . . . ?
Rh2 N2 C6 C7 -115.7(5) . . . . ?
C11 C6 C7 F1 -179.7(7) . . . . ?
N2 C6 C7 F1 0.5(7) . . . . ?
C11 C6 C7 C8 0.0 . . . . ?
N2 C6 C7 C8 -179.8(7) . . . . ?
F1 C7 C8 C9 179.7(7) . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 F2 179.2(6) . . . . ?
C9 C10 C11 C6 0.0 . . . . ?
C7 C6 C11 F2 -179.2(7) . . . . ?
N2 C6 C11 F2 0.6(7) . . . . ?
C7 C6 C11 C10 0.0 . . . . ?
N2 C6 C11 C10 179.8(6) . . . . ?
C5 N2 C6' C7' 58.9(10) . . . . ?
C6 N2 C6' C7' -9(2) . . . . ?
Rh2 N2 C6' C7' -128.8(6) . . . . ?
C5 N2 C6' C11' -121.0(8) . . . . ?
C6 N2 C6' C11' 171(3) . . . . ?
Rh2 N2 C6' C11' 51.2(10) . . . . ?
C11' C6' C7' F1' 177.8(13) . . . . ?
N2 C6' C7' F1' -2.1(13) . . . . ?
C11' C6' C7' C8' 0.0 . . . . ?
N2 C6' C7' C8' -180.0(10) . . . . ?
F1' C7' C8' C9' -177.9(12) . . . . ?
C6' C7' C8' C9' 0.0 . . . . ?
C7' C8' C9' C10' 0.0 . . . . ?
C8' C9' C10' C11' 0.0 . . . . ?
C9' C10' C11' F2' -176.3(15) . . . . ?
C9' C10' C11' C6' 0.0 . . . . ?
C7' C6' C11' F2' 176.5(14) . . . . ?
N2 C6' C11' F2' -3.5(13) . . . . ?
C7' C6' C11' C10' 0.0 . . . . ?
N2 C6' C11' C10' 180.0(11) . . . . ?
C16 N3 C12 C13 -1.5(8) . . . . ?
Rh1 N3 C12 C13 175.5(5) . . . . ?
N3 C12 C13 C14 -0.7(10) . . . . ?
C12 C13 C14 C15 1.2(10) . . . . ?
C13 C14 C15 C16 0.5(10) . . . . ?
C12 N3 C16 N4 -173.6(5) . . . . ?
Rh1 N3 C16 N4 9.3(6) . . . . ?
C12 N3 C16 C15 3.2(8) . . . . ?
Rh1 N3 C16 C15 -173.9(4) . . . . ?
C17' N4 C16 N3 -157.6(6) . . . . ?
C17 N4 C16 N3 -160.1(6) . . . . ?
Rh2 N4 C16 N3 19.3(6) . . . . ?
C17' N4 C16 C15 25.7(8) . . . . ?
C17 N4 C16 C15 23.2(9) . . . . ?
Rh2 N4 C16 C15 -157.4(4) . . . . ?
C14 C15 C16 N3 -2.8(9) . . . . ?
C14 C15 C16 N4 173.9(6) . . . . ?
C16 N4 C17 C22 -126.5(6) . . . . ?
C17' N4 C17 C22 -138(4) . . . . ?
Rh2 N4 C17 C22 54.1(7) . . . . ?
C16 N4 C17 C18 48.9(9) . . . . ?
C17' N4 C17 C18 38(3) . . . . ?
Rh2 N4 C17 C18 -130.5(5) . . . . ?
C22 C17 C18 F3 -172.1(10) . . . . ?
N4 C17 C18 F3 12.5(10) . . . . ?
C22 C17 C18 C19 0.0 . . . . ?
N4 C17 C18 C19 -175.5(8) . . . . ?
F3 C18 C19 C20 172.3(9) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 F4 -176.8(11) . . . . ?
C20 C21 C22 C17 0.0 . . . . ?
C18 C17 C22 F4 176.7(11) . . . . ?
N4 C17 C22 F4 -8.0(10) . . . . ?
C18 C17 C22 C21 0.0 . . . . ?
N4 C17 C22 C21 175.3(9) . . . . ?
C16 N4 C17' C22' -125.7(6) . . . . ?
C17 N4 C17' C22' 44(3) . . . . ?
Rh2 N4 C17' C22' 57.8(8) . . . . ?
C16 N4 C17' C18' 59.4(8) . . . . ?
C17 N4 C17' C18' -131(4) . . . . ?
Rh2 N4 C17' C18' -117.1(6) . . . . ?
C22' C17' C18' F3' 174.3(12) . . . . ?
N4 C17' C18' F3' -11.0(11) . . . . ?
C22' C17' C18' C19' 0.0 . . . . ?
N4 C17' C18' C19' 174.8(9) . . . . ?
F3' C18' C19' C20' -174.3(12) . . . . ?
C17' C18' C19' C20' 0.0 . . . . ?
C18' C19' C20' C21' 0.0 . . . . ?
C19' C20' C21' C22' 0.0 . . . . ?
C18' C17' C22' C21' 0.0 . . . . ?
N4 C17' C22' C21' -175.0(9) . . . . ?
C18' C17' C22' F4' -174.6(10) . . . . ?
N4 C17' C22' F4' 10.3(10) . . . . ?
C20' C21' C22' C17' 0.0 . . . . ?
C20' C21' C22' F4' 174.5(10) . . . . ?
