#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:30:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178568 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/77/4067780.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_4067780
loop_
_publ_author_name
'Zhang, Wan-Zheng'
'Han, Ying-Feng'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 [2+2] Photodimerization in the Solid State Aided by Molecular Templates
 of Rectangular Macrocycles Bearing Oxamidato Ligands
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2842
_journal_paper_doi               10.1021/om901125r
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C96 H100 F12 N8 O16 Rh4 S4'
_chemical_formula_weight         2389.72
_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                 98.426(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   44.077(15)
_cell_length_b                   15.603(5)
_cell_length_c                   16.711(6)
_cell_measurement_reflns_used    907
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.216
_cell_measurement_theta_min      2.611
_cell_volume                     11369(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0949
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25485
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        4.72
_exptl_absorpt_coefficient_mu    0.723
_exptl_absorpt_correction_T_max  0.9444
_exptl_absorpt_correction_T_min  0.8869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4848
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.470
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.835
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         11111
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0663P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1196
_refine_ls_wR_factor_ref         0.1288
_reflns_number_gt                5854
_reflns_number_total             11111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om901125r_si_002.cif
_cod_data_source_block           4a(1)
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        11368(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4067780
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 0.860098(8) 0.04180(2) 0.37902(3) 0.05264(14) Uani 1 1 d . . .
Rh2 Rh 0.848174(9) 0.37812(2) 0.27026(2) 0.05182(13) Uani 1 1 d . . .
N1 N 0.86663(8) 0.1694(2) 0.4202(2) 0.0483(10) Uani 1 1 d . . .
N2 N 0.83717(9) 0.2526(2) 0.2284(2) 0.0502(10) Uani 1 1 d . . .
N3 N 0.90331(10) 0.0505(3) 0.3356(3) 0.0674(12) Uani 1 1 d . . .
N4 N 0.89557(10) 0.3479(3) 0.2682(3) 0.0670(12) Uani 1 1 d . . .
O1 O 0.84226(7) 0.1128(2) 0.27415(19) 0.0565(8) Uani 1 1 d . . .
O2 O 0.85514(8) 0.3081(2) 0.37952(18) 0.0585(9) Uani 1 1 d . . .
O3 O 0.76531(11) 0.6107(3) 0.2458(4) 0.141(2) Uani 1 1 d . . .
O4 O 0.81454(11) 0.6808(3) 0.2612(4) 0.147(2) Uani 1 1 d . . .
O5 O 0.77004(12) 0.7603(3) 0.2827(3) 0.1209(18) Uani 1 1 d . . .
F1 F 0.78862(13) 0.7903(3) 0.1243(3) 0.1566(19) Uani 1 1 d . . .
F2 F 0.78508(15) 0.6567(4) 0.0948(4) 0.207(3) Uani 1 1 d . . .
F3 F 0.74609(14) 0.7277(4) 0.1118(4) 0.173(2) Uani 1 1 d . . .
S1 S 0.78197(4) 0.68888(11) 0.24486(16) 0.1063(7) Uani 1 1 d . . .
S2 S 0.98022(10) 0.7890(4) 0.4890(2) 0.238(2) Uani 1 1 d D . .
F4 F 0.9555(4) 0.8326(9) 0.3467(8) 0.185(7) Uiso 0.419(11) 1 d PD A 1
F5 F 0.9927(3) 0.7513(14) 0.3425(9) 0.211(8) Uiso 0.419(11) 1 d PD A 1
F6 F 0.9524(6) 0.7003(12) 0.3779(13) 0.356(16) Uiso 0.419(11) 1 d PD A 1
O6 O 0.9584(4) 0.7977(15) 0.5365(13) 0.237(11) Uiso 0.419(11) 1 d PD A 1
O7 O 0.9928(5) 0.6952(10) 0.5024(14) 0.232(11) Uiso 0.419(11) 1 d PD A 1
O8 O 1.0045(7) 0.8444(17) 0.471(3) 0.39(2) Uiso 0.419(11) 1 d PD A 1
F4' F 0.9924(4) 0.8343(13) 0.3555(10) 0.326(9) Uiso 0.581(11) 1 d PD A 2
F5' F 0.9806(6) 0.6993(11) 0.3585(11) 0.349(11) Uiso 0.581(11) 1 d PD A 2
F6' F 0.9457(4) 0.7862(19) 0.3528(13) 0.49(2) Uiso 0.581(11) 1 d PD A 2
O6' O 0.9710(3) 0.8788(8) 0.5056(9) 0.202(7) Uiso 0.581(11) 1 d PD A 2
O7' O 0.9545(4) 0.7273(10) 0.4910(12) 0.263(9) Uiso 0.581(11) 1 d PD A 2
O8' O 1.0108(3) 0.7693(10) 0.5118(9) 0.200(6) Uiso 0.581(11) 1 d PD A 2
C1 C 0.85599(10) 0.2272(3) 0.3672(3) 0.0481(12) Uani 1 1 d . . .
C2 C 0.84444(10) 0.1934(3) 0.2842(3) 0.0501(12) Uani 1 1 d . . .
C3 C 0.87859(12) 0.1972(3) 0.5001(3) 0.0568(13) Uani 1 1 d . . .
C4 C 0.85990(13) 0.2333(3) 0.5510(3) 0.0674(15) Uani 1 1 d . . .
H4 H 0.8392 0.2417 0.5322 0.081 Uiso 1 1 calc R . .
C5 C 0.87133(17) 0.2567(4) 0.6283(4) 0.0828(18) Uani 1 1 d . . .
H5 H 0.8583 0.2798 0.6618 0.099 Uiso 1 1 calc R . .
C6 C 0.90170(19) 0.2463(5) 0.6567(4) 0.100(2) Uani 1 1 d . . .
H6 H 0.9095 0.2624 0.7093 0.119 Uiso 1 1 calc R . .
C7 C 0.92018(17) 0.2128(6) 0.6079(5) 0.131(3) Uani 1 1 d . . .
H7 H 0.9409 0.2051 0.6272 0.157 Uiso 1 1 calc R . .
C8 C 0.90880(14) 0.1890(5) 0.5282(4) 0.102(2) Uani 1 1 d . . .
H8 H 0.9221 0.1676 0.4946 0.123 Uiso 1 1 calc R . .
C9 C 0.82209(11) 0.2277(3) 0.1508(3) 0.0522(12) Uani 1 1 d . . .
C10 C 0.79463(12) 0.1852(4) 0.1422(3) 0.0701(16) Uani 1 1 d . . .
H10 H 0.7864 0.1671 0.1875 0.084 Uiso 1 1 calc R . .
C11 C 0.77899(15) 0.1690(4) 0.0641(5) 0.090(2) Uani 1 1 d . . .
H11 H 0.7603 0.1405 0.0586 0.108 Uiso 1 1 calc R . .
C12 C 0.79033(18) 0.1934(5) -0.0026(4) 0.090(2) Uani 1 1 d . . .
H12 H 0.7797 0.1822 -0.0538 0.108 Uiso 1 1 calc R . .
C13 C 0.81791(17) 0.2353(4) 0.0065(4) 0.0845(19) Uani 1 1 d . . .
H13 H 0.8260 0.2530 -0.0392 0.101 Uiso 1 1 calc R . .
C14 C 0.83376(13) 0.2517(4) 0.0820(3) 0.0688(15) Uani 1 1 d . . .
H14 H 0.8526 0.2793 0.0868 0.083 Uiso 1 1 calc R . .
C15 C 0.92946(15) 0.0430(4) 0.3847(5) 0.104(2) Uani 1 1 d . . .
H15 H 0.9290 0.0349 0.4397 0.125 Uiso 1 1 calc R . .
C16 C 0.95796(15) 0.0468(5) 0.3565(6) 0.126(3) Uani 1 1 d . . .
H16 H 0.9760 0.0405 0.3925 0.151 Uiso 1 1 calc R . .
C17 C 0.95907(18) 0.0597(5) 0.2767(6) 0.112(3) Uani 1 1 d . . .
C18 C 0.9326(2) 0.0711(7) 0.2295(6) 0.163(4) Uani 1 1 d . . .
H18 H 0.9322 0.0814 0.1746 0.196 Uiso 1 1 calc R . .
C19 C 0.90618(17) 0.0677(6) 0.2607(5) 0.138(3) Uani 1 1 d . . .
H19 H 0.8882 0.0787 0.2254 0.165 Uiso 1 1 calc R . .
C20 C 0.98673(13) 0.0603(5) 0.2288(6) 0.144(3) Uani 1 1 d D . .
H20 H 0.9841 0.0606 0.1726 0.172 Uiso 1 1 calc R . .
C21 C 0.90767(16) 0.3355(5) 0.2021(5) 0.103(2) Uani 1 1 d . . .
H21 H 0.8946 0.3342 0.1531 0.124 Uiso 1 1 calc R . .
C22 C 0.93917(17) 0.3238(5) 0.2007(5) 0.117(3) Uani 1 1 d . . .
H22 H 0.9466 0.3169 0.1518 0.140 Uiso 1 1 calc R . .
C23 C 0.95866(15) 0.3228(5) 0.2711(6) 0.101(2) Uani 1 1 d . . .
C24 C 0.94605(17) 0.3314(6) 0.3378(6) 0.131(3) Uani 1 1 d . . .
H24 H 0.9586 0.3284 0.3876 0.158 Uiso 1 1 calc R . .
C25 C 0.91491(14) 0.3447(5) 0.3362(4) 0.097(2) Uani 1 1 d . . .
H25 H 0.9074 0.3517 0.3849 0.116 Uiso 1 1 calc R . .
C26 C 0.99253(18) 0.3197(5) 0.2808(4) 0.124(3) Uani 1 1 d D . .
H26 H 1.0035 0.3176 0.3327 0.149 Uiso 1 1 calc R . .
C27 C 0.85238(19) -0.0928(4) 0.3698(5) 0.090(2) Uani 1 1 d . . .
C28 C 0.86568(13) -0.0719(4) 0.4513(5) 0.0823(19) Uani 1 1 d . . .
C29 C 0.84500(15) -0.0184(4) 0.4826(4) 0.0723(16) Uani 1 1 d . . .
C30 C 0.82056(14) -0.0025(4) 0.4248(5) 0.0801(19) Uani 1 1 d . . .
C31 C 0.82390(16) -0.0495(4) 0.3554(4) 0.0840(19) Uani 1 1 d . . .
C32 C 0.8660(3) -0.1533(5) 0.3143(7) 0.209(6) Uani 1 1 d . . .
H32A H 0.8880 -0.1522 0.3269 0.313 Uiso 1 1 calc R . .
H32B H 0.8600 -0.1358 0.2592 0.313 Uiso 1 1 calc R . .
H32C H 0.8587 -0.2104 0.3214 0.313 Uiso 1 1 calc R . .
C33 C 0.89467(17) -0.1096(5) 0.4976(6) 0.162(4) Uani 1 1 d . . .
H33A H 0.9032 -0.0703 0.5390 0.242 Uiso 1 1 calc R . .
H33B H 0.9092 -0.1197 0.4612 0.242 Uiso 1 1 calc R . .
H33C H 0.8899 -0.1627 0.5219 0.242 Uiso 1 1 calc R . .
C34 C 0.8482(2) 0.0138(5) 0.5686(5) 0.155(4) Uani 1 1 d . . .
H34A H 0.8366 0.0658 0.5703 0.233 Uiso 1 1 calc R . .
H34B H 0.8694 0.0249 0.5881 0.233 Uiso 1 1 calc R . .
H34C H 0.8406 -0.0287 0.6021 0.233 Uiso 1 1 calc R . .
C35 C 0.79283(15) 0.0515(4) 0.4355(6) 0.154(4) Uani 1 1 d . . .
H35A H 0.7803 0.0593 0.3840 0.231 Uiso 1 1 calc R . .
H35B H 0.7995 0.1064 0.4574 0.231 Uiso 1 1 calc R . .
H35C H 0.7812 0.0231 0.4719 0.231 Uiso 1 1 calc R . .
C36 C 0.8024(2) -0.0509(6) 0.2750(6) 0.179(5) Uani 1 1 d . . .
H36A H 0.7884 -0.0035 0.2729 0.268 Uiso 1 1 calc R . .
H36B H 0.7910 -0.1036 0.2703 0.268 Uiso 1 1 calc R . .
H36C H 0.8142 -0.0465 0.2312 0.268 Uiso 1 1 calc R . .
C37 C 0.83903(15) 0.4844(3) 0.1915(3) 0.0676(15) Uani 1 1 d . . .
C38 C 0.81068(15) 0.4487(3) 0.2037(4) 0.0764(18) Uani 1 1 d . . .
C39 C 0.80810(14) 0.4501(3) 0.2846(4) 0.0754(17) Uani 1 1 d . . .
C40 C 0.83436(15) 0.4924(3) 0.3246(3) 0.0684(15) Uani 1 1 d . . .
C41 C 0.85344(13) 0.5142(3) 0.2681(3) 0.0632(15) Uani 1 1 d . . .
C42 C 0.8506(2) 0.4990(4) 0.1128(4) 0.133(3) Uani 1 1 d . . .
H42A H 0.8427 0.5525 0.0900 0.199 Uiso 1 1 calc R . .
H42B H 0.8438 0.4532 0.0762 0.199 Uiso 1 1 calc R . .
H42C H 0.8726 0.5009 0.1218 0.199 Uiso 1 1 calc R . .
C43 C 0.78659(17) 0.4165(5) 0.1370(5) 0.145(4) Uani 1 1 d . . .
H43A H 0.7776 0.3649 0.1544 0.218 Uiso 1 1 calc R . .
H43B H 0.7959 0.4046 0.0897 0.218 Uiso 1 1 calc R . .
H43C H 0.7710 0.4593 0.1245 0.218 Uiso 1 1 calc R . .
C44 C 0.78184(16) 0.4174(5) 0.3254(6) 0.144(4) Uani 1 1 d . . .
H44A H 0.7899 0.3871 0.3738 0.216 Uiso 1 1 calc R . .
H44B H 0.7693 0.3795 0.2893 0.216 Uiso 1 1 calc R . .
H44C H 0.7697 0.4650 0.3387 0.216 Uiso 1 1 calc R . .
C45 C 0.8410(2) 0.5102(5) 0.4141(4) 0.129(3) Uani 1 1 d . . .
H45A H 0.8628 0.5113 0.4309 0.194 Uiso 1 1 calc R . .
H45B H 0.8320 0.4660 0.4431 0.194 Uiso 1 1 calc R . .
H45C H 0.8324 0.5646 0.4254 0.194 Uiso 1 1 calc R . .
C46 C 0.88354(17) 0.5635(4) 0.2858(5) 0.122(3) Uani 1 1 d . . .
H46A H 0.8796 0.6238 0.2798 0.183 Uiso 1 1 calc R . .
H46B H 0.8970 0.5460 0.2486 0.183 Uiso 1 1 calc R . .
H46C H 0.8930 0.5518 0.3401 0.183 Uiso 1 1 calc R . .
C47 C 0.7752(2) 0.7174(6) 0.1390(7) 0.125(3) Uani 1 1 d . . .
C48 C 0.9731(4) 0.7729(10) 0.3851(9) 0.497(19) Uiso 1 1 d D A .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N1 Rh1 C30 105.7(2) .
N1 Rh1 O1 78.06(14) .
C30 Rh1 O1 104.1(2) .
N1 Rh1 C27 165.0(2) .
C30 Rh1 C27 64.7(2) .
O1 Rh1 C27 114.8(3) .
N1 Rh1 C31 138.8(2) .
C30 Rh1 C31 38.4(2) .
O1 Rh1 C31 91.1(2) .
C27 Rh1 C31 38.8(2) .
N1 Rh1 N3 87.98(16) .
C30 Rh1 N3 164.4(2) .
O1 Rh1 N3 85.82(16) .
C27 Rh1 N3 100.3(2) .
C31 Rh1 N3 131.2(3) .
N1 Rh1 C28 126.8(3) .
C30 Rh1 C28 63.8(2) .
O1 Rh1 C28 153.7(2) .
C27 Rh1 C28 39.4(2) .
C31 Rh1 C28 64.6(2) .
N3 Rh1 C28 102.1(2) .
N1 Rh1 C29 101.10(19) .
C30 Rh1 C29 37.1(2) .
O1 Rh1 C29 140.2(2) .
C27 Rh1 C29 64.2(2) .
C31 Rh1 C29 63.1(2) .
N3 Rh1 C29 134.0(2) .
C28 Rh1 C29 37.8(2) .
O2 Rh2 N2 78.70(14) .
O2 Rh2 C37 158.83(17) .
N2 Rh2 C37 120.4(2) .
O2 Rh2 C40 94.52(17) .
N2 Rh2 C40 148.4(2) .
C37 Rh2 C40 64.5(2) .
O2 Rh2 C39 101.1(2) .
N2 Rh2 C39 111.8(2) .
C37 Rh2 C39 64.7(2) .
C40 Rh2 C39 38.7(2) .
O2 Rh2 C41 121.78(18) .
N2 Rh2 C41 159.37(19) .
C37 Rh2 C41 39.0(2) .
C40 Rh2 C41 38.2(2) .
C39 Rh2 C41 64.7(2) .
O2 Rh2 N4 83.19(16) .
N2 Rh2 N4 88.17(16) .
C37 Rh2 N4 105.0(2) .
C40 Rh2 N4 122.0(2) .
C39 Rh2 N4 160.0(2) .
C41 Rh2 N4 96.29(19) .
O2 Rh2 C38 135.6(2) .
N2 Rh2 C38 100.46(18) .
C37 Rh2 C38 38.5(2) .
C40 Rh2 C38 63.0(2) .
C39 Rh2 C38 37.3(2) .
C41 Rh2 C38 63.9(2) .
N4 Rh2 C38 141.1(2) .
C1 N1 C3 118.1(4) .
C1 N1 Rh1 114.4(3) .
C3 N1 Rh1 127.2(3) .
C2 N2 C9 119.1(4) .
C2 N2 Rh2 113.2(3) .
C9 N2 Rh2 127.6(3) .
C19 N3 C15 114.7(6) .
C19 N3 Rh1 123.7(4) .
C15 N3 Rh1 121.5(4) .
C21 N4 C25 115.4(6) .
C21 N4 Rh2 124.3(4) .
C25 N4 Rh2 120.2(4) .
C2 O1 Rh1 113.3(3) .
C1 O2 Rh2 112.0(3) .
O5 S1 O3 116.2(3) .
O5 S1 O4 114.3(4) .
O3 S1 O4 115.3(3) .
O5 S1 C47 103.0(4) .
O3 S1 C47 102.1(4) .
O4 S1 C47 103.1(4) .
O6 S2 O8' 128.0(13) .
O6 S2 O8 132.9(16) .
O8' S2 O8 57.7(14) .
O6 S2 O7' 55.8(10) .
O8' S2 O7' 124.4(10) .
O8 S2 O7' 169.3(18) .
O6 S2 O6' 63.7(10) .
O8' S2 O6' 116.0(9) .
O8 S2 O6' 72.9(13) .
O7' S2 O6' 111.8(9) .
O6 S2 O7 106.2(11) .
O8' S2 O7 56.2(8) .
O8 S2 O7 109.4(12) .
O7' S2 O7 69.4(10) .
O6' S2 O7 161.2(10) .
O6 S2 C48 124.4(12) .
O8' S2 C48 105.7(8) .
O8 S2 C48 85.0(18) .
O7' S2 C48 84.4(9) .
O6' S2 C48 107.8(8) .
O7 S2 C48 90.9(10) .
O2 C1 N1 126.1(4) .
O2 C1 C2 118.8(4) .
N1 C1 C2 115.1(4) .
O1 C2 N2 126.4(5) .
O1 C2 C1 118.6(4) .
N2 C2 C1 115.0(4) .
C8 C3 C4 117.9(5) .
C8 C3 N1 120.4(5) .
C4 C3 N1 121.7(5) .
C5 C4 C3 121.3(6) .
C6 C5 C4 120.3(6) .
C7 C6 C5 119.2(7) .
C6 C7 C8 121.1(7) .
C3 C8 C7 120.2(6) .
C10 C9 C14 118.4(5) .
C10 C9 N2 121.1(5) .
C14 C9 N2 120.3(5) .
C9 C10 C11 119.4(6) .
C12 C11 C10 121.9(7) .
C11 C12 C13 118.5(6) .
C12 C13 C14 120.9(6) .
C13 C14 C9 121.0(6) .
N3 C15 C16 122.0(7) .
C17 C16 C15 119.9(8) .
C18 C17 C16 116.8(7) .
C18 C17 C20 112.5(8) .
C16 C17 C20 130.6(8) .
C17 C18 C19 120.2(9) .
N3 C19 C18 126.2(8) .
C20 C20 C17 116.0(13) 2_755
N4 C21 C22 124.0(7) .
C23 C22 C21 119.4(7) .
C24 C23 C22 116.1(7) .
C24 C23 C26 116.9(8) .
C22 C23 C26 126.8(8) .
C23 C24 C25 122.4(8) .
N4 C25 C24 122.5(7) .
C26 C26 C23 122.2(11) 2_755
C31 C27 C28 106.3(5) .
C31 C27 C32 128.1(9) .
C28 C27 C32 125.5(9) .
C31 C27 Rh1 70.7(3) .
C28 C27 Rh1 70.7(3) .
C32 C27 Rh1 126.0(5) .
C29 C28 C27 107.0(6) .
C29 C28 C33 126.3(8) .
C27 C28 C33 126.3(8) .
C29 C28 Rh1 71.8(3) .
C27 C28 Rh1 69.9(3) .
C33 C28 Rh1 129.0(4) .
C30 C29 C28 109.7(6) .
C30 C29 C34 124.7(7) .
C28 C29 C34 125.6(7) .
C30 C29 Rh1 69.9(3) .
C28 C29 Rh1 70.4(3) .
C34 C29 Rh1 128.4(4) .
C29 C30 C31 108.9(6) .
C29 C30 C35 125.8(8) .
C31 C30 C35 125.0(8) .
C29 C30 Rh1 73.0(3) .
C31 C30 Rh1 71.3(3) .
C35 C30 Rh1 125.5(4) .
C30 C31 C27 108.0(6) .
C30 C31 C36 127.6(8) .
C27 C31 C36 124.3(8) .
C30 C31 Rh1 70.3(3) .
C27 C31 Rh1 70.5(3) .
C36 C31 Rh1 121.6(4) .
C38 C37 C41 106.7(5) .
C38 C37 C42 127.6(6) .
C41 C37 C42 125.2(6) .
C38 C37 Rh2 72.1(3) .
C41 C37 Rh2 71.2(3) .
C42 C37 Rh2 127.4(4) .
C39 C38 C37 109.8(5) .
C39 C38 C43 125.6(7) .
C37 C38 C43 124.6(7) .
C39 C38 Rh2 70.6(3) .
C37 C38 Rh2 69.4(3) .
C43 C38 Rh2 127.9(4) .
C38 C39 C40 107.0(5) .
C38 C39 C44 128.0(7) .
C40 C39 C44 124.9(7) .
C38 C39 Rh2 72.1(3) .
C40 C39 Rh2 70.4(3) .
C44 C39 Rh2 124.9(4) .
C41 C40 C39 109.1(5) .
C41 C40 C45 125.3(6) .
C39 C40 C45 125.6(6) .
C41 C40 Rh2 71.2(3) .
C39 C40 Rh2 70.9(3) .
C45 C40 Rh2 123.5(4) .
C40 C41 C37 107.2(5) .
C40 C41 C46 125.8(6) .
C37 C41 C46 127.0(6) .
C40 C41 Rh2 70.6(3) .
C37 C41 Rh2 69.8(3) .
C46 C41 Rh2 126.3(4) .
F3 C47 F2 106.4(9) .
F3 C47 F1 105.8(9) .
F2 C47 F1 108.8(8) .
F3 C47 S1 112.5(7) .
F2 C47 S1 110.7(8) .
F1 C47 S1 112.3(7) .
F5 C48 F6' 120.0(19) .
F5 C48 F5' 47.7(11) .
F6' C48 F5' 106.1(16) .
F5 C48 F4 108.8(15) .
F6' C48 F4 38.6(14) .
F5' C48 F4 128.6(17) .
F5 C48 F4' 58.8(11) .
F6' C48 F4' 108.8(16) .
F5' C48 F4' 106.5(14) .
F4 C48 F4' 72.1(12) .
F5 C48 F6 102.8(14) .
F6' C48 F6 62.9(15) .
F5' C48 F6 57.7(13) .
F4 C48 F6 101.2(14) .
F4' C48 F6 154.5(16) .
F5 C48 S2 124.9(14) .
F6' C48 S2 115.1(14) .
F5' C48 S2 117.0(13) .
F4 C48 S2 113.1(12) .
F4' C48 S2 102.7(11) .
F6 C48 S2 102.5(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N1 2.112(4) .
Rh1 C30 2.119(5) .
Rh1 O1 2.124(3) .
Rh1 C27 2.129(6) .
Rh1 C31 2.132(6) .
Rh1 N3 2.140(4) .
Rh1 C28 2.140(6) .
Rh1 C29 2.158(6) .
Rh2 O2 2.111(3) .
Rh2 N2 2.112(4) .
Rh2 C37 2.119(5) .
Rh2 C40 2.130(5) .
Rh2 C39 2.136(5) .
Rh2 C41 2.137(5) .
Rh2 N4 2.147(4) .
Rh2 C38 2.155(5) .
N1 C1 1.302(6) .
N1 C3 1.430(6) .
N2 C2 1.319(6) .
N2 C9 1.421(6) .
N3 C19 1.304(8) .
N3 C15 1.319(8) .
N4 C21 1.310(8) .
N4 C25 1.317(7) .
O1 C2 1.271(5) .
O2 C1 1.280(6) .
O3 S1 1.425(4) .
O4 S1 1.427(5) .
O5 S1 1.419(5) .
F1 C47 1.322(9) .
F2 C47 1.314(8) .
F3 C47 1.307(9) .
S1 C47 1.806(11) .
S2 O6 1.342(14) .
S2 O8' 1.382(11) .
S2 O8 1.440(15) .
S2 O7' 1.493(12) .
S2 O6' 1.497(11) .
S2 O7 1.569(14) .
S2 C48 1.737(15) .
F4 C48 1.318(16) .
F5 C48 1.243(15) .
F6 C48 1.446(16) .
F4' C48 1.419(16) .
F5' C48 1.291(16) .
F6' C48 1.263(16) .
C1 C2 1.501(6) .
C3 C8 1.351(7) .
C3 C4 1.388(7) .
C4 C5 1.366(7) .
C5 C6 1.363(9) .
C6 C7 1.341(9) .
C7 C8 1.403(9) .
C9 C10 1.369(7) .
C9 C14 1.378(7) .
C10 C11 1.405(8) .
C11 C12 1.343(9) .
C12 C13 1.369(9) .
C13 C14 1.374(7) .
C15 C16 1.407(9) .
C16 C17 1.356(11) .
C17 C18 1.321(11) .
C17 C20 1.554(11) .
C18 C19 1.345(9) .
C20 C20 1.276(9) 2_755
C21 C22 1.404(9) .
C22 C23 1.351(10) .
C23 C24 1.323(10) .
C23 C26 1.478(10) .
C24 C25 1.385(9) .
C26 C26 1.302(8) 2_755
C27 C31 1.414(9) .
C27 C28 1.439(9) .
C27 C32 1.509(9) .
C28 C29 1.393(8) .
C28 C33 1.512(9) .
C29 C30 1.360(8) .
C29 C34 1.509(9) .
C30 C31 1.398(9) .
C30 C35 1.517(8) .
C31 C36 1.528(9) .
C37 C38 1.409(8) .
C37 C41 1.421(7) .
C37 C42 1.495(8) .
C38 C39 1.374(8) .
C38 C43 1.509(8) .
C39 C40 1.412(8) .
C39 C44 1.515(8) .
C40 C41 1.396(7) .
C40 C45 1.508(8) .
C41 C46 1.525(8) .
