#------------------------------------------------------------------------------
#$Date: 2016-03-22 13:01:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178969 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/98/4119837.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_4119837
loop_
_publ_author_name
'Sheng-Li Huang'
'Yue-Jian Lin'
'T. S. Andy Hor'
'Guo-Xin Jin'
_publ_contact_author
; 
Guo-Xin Jin
Advanced Materials Laboratory, Department of Chemistry, Fudan University, 
Shanghai 200433, P. R. China
;
_publ_contact_author_email       gxjin@fudan.edu.cn
_publ_section_title
;
 Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean
 Link Structures and Catalytic Acyl Transfer
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8125
_journal_page_last               8128
_journal_paper_doi               10.1021/ja402630g
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C94 H112 Cu2 F12 N8 O30 Rh4 S4'
_chemical_formula_weight         2728.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.3940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.72330(10)
_cell_length_b                   16.4900(2)
_cell_length_c                   34.7166(4)
_cell_measurement_reflns_used    5993
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      67.07
_cell_measurement_theta_min      3.70
_cell_volume                     5550.00(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_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_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            25190
_diffrn_reflns_theta_full        62.00
_diffrn_reflns_theta_max         62.00
_diffrn_reflns_theta_min         2.55
_diffrn_standards_decay_%        4.77
_exptl_absorpt_coefficient_mu    6.668
_exptl_absorpt_correction_T_max  0.8250
_exptl_absorpt_correction_T_min  0.6525
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_description       prism
_exptl_crystal_F_000             2764
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.127
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     715
_refine_ls_number_reflns         8176
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0460
_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)+(0.0673P)²+6.7394P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                6764
_reflns_number_total             8176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja402630g_si_001_2.cif
_cod_data_source_block           3
_cod_database_code               4119837
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Rh1 Rh 0.26856(4) 0.69792(2) 0.209480(11) 0.03137(12) Uani 1 1 d .
Rh2 Rh -0.20283(4) 0.22558(2) 0.048176(11) 0.03472(12) Uani 1 1 d .
Cu1 Cu 0.06091(12) 0.49418(5) 0.09957(3) 0.0649(3) Uani 1 1 d .
N1 N 0.1994(5) 0.4932(3) 0.14225(14) 0.0446(11) Uani 1 1 d .
N2 N 0.0935(5) 0.3777(3) 0.10127(13) 0.0439(11) Uani 1 1 d .
N3 N 0.4398(4) 0.7248(3) 0.17801(12) 0.0345(10) Uani 1 1 d .
N4 N 1.0737(4) 0.8000(3) -0.00382(13) 0.0371(10) Uani 1 1 d .
O1 O 0.2934(4) 0.5772(2) 0.19044(10) 0.0364(8) Uani 1 1 d .
O2 O 0.1458(4) 0.6988(2) 0.15505(11) 0.0430(9) Uani 1 1 d .
O3 O 0.0508(5) 0.6130(2) 0.11172(13) 0.0617(13) Uani 1 1 d .
O4 O -0.0171(4) 0.2591(2) 0.08127(10) 0.0379(8) Uani 1 1 d .
O5 O -0.1849(4) 0.3517(2) 0.03364(11) 0.0441(9) Uani 1 1 d .
O6 O -0.0837(6) 0.4637(2) 0.05726(13) 0.0654(14) Uani 1 1 d .
O7 O 0.2301(12) 0.5284(6) 0.0546(3) 0.162(4) Uani 1 1 d D
H7 H 0.177(4) 0.562(3) 0.045(3) 0.195 Uiso 1 1 d D
O8 O 0.4546(5) -0.0325(3) 0.07747(12) 0.0548(11) Uani 1 1 d .
O9 O 0.3451(4) 0.0940(3) 0.05878(13) 0.0566(11) Uani 1 1 d .
O10 O 0.4519(5) 0.0773(3) 0.12318(13) 0.0574(11) Uani 1 1 d .
O11 O 0.7212(5) 0.3805(3) 0.23926(14) 0.0588(11) Uani 1 1 d .
O12 O 0.6080(5) 0.5094(3) 0.23300(14) 0.0619(12) Uani 1 1 d .
O13 O 0.8501(5) 0.4980(3) 0.22223(13) 0.0591(12) Uani 1 1 d .
S1 S 0.38866(14) 0.04023(8) 0.08952(4) 0.0386(3) Uani 1 1 d .
S2 S 0.73326(14) 0.46662(8) 0.24055(4) 0.0428(3) Uani 1 1 d .
F1 F 0.1527(4) 0.0653(3) 0.11884(13) 0.0735(12) Uani 1 1 d .
F2 F 0.1454(5) -0.0276(3) 0.07638(16) 0.0952(16) Uani 1 1 d .
F3 F 0.2429(5) -0.0485(3) 0.13393(15) 0.0947(17) Uani 1 1 d .
F4 F 0.8973(4) 0.4540(3) 0.30411(12) 0.0735(12) Uani 1 1 d .
F5 F 0.7920(5) 0.5675(3) 0.29736(13) 0.0778(12) Uani 1 1 d .
F6 F 0.6820(5) 0.4618(3) 0.31330(13) 0.0878(15) Uani 1 1 d .
C1 C 0.2626(5) 0.4171(3) 0.14995(15) 0.0346(11) Uani 1 1 d .
C2 C 0.2012(6) 0.3529(3) 0.12778(15) 0.0368(12) Uani 1 1 d .
C3 C 0.2545(6) 0.2754(3) 0.13185(15) 0.0384(12) Uani 1 1 d .
H3 H 0.2118 0.2317 0.1177 0.046 Uiso 1 1 calc R
C4 C 0.3705(6) 0.2618(3) 0.15665(16) 0.0386(12) Uani 1 1 d .
H4 H 0.4081 0.2088 0.1593 0.046 Uiso 1 1 calc R
C5 C 0.4316(5) 0.3253(3) 0.17756(16) 0.0368(12) Uani 1 1 d .
H5 H 0.5118 0.3154 0.1943 0.044 Uiso 1 1 calc R
C6 C 0.3783(5) 0.4031(3) 0.17466(15) 0.0353(11) Uani 1 1 d .
H6 H 0.4206 0.4461 0.1894 0.042 Uiso 1 1 calc R
C7 C 0.2175(6) 0.5617(3) 0.16067(16) 0.0375(12) Uani 1 1 d .
C8 C 0.1308(6) 0.6295(3) 0.14083(17) 0.0444(14) Uani 1 1 d .
C9 C 0.0008(6) 0.3340(3) 0.08160(15) 0.0382(12) Uani 1 1 d .
C10 C -0.0976(7) 0.3879(4) 0.05544(17) 0.0489(15) Uani 1 1 d .
C11 C 0.4375(6) 0.7888(3) 0.15393(17) 0.0408(13) Uani 1 1 d .
H11 H 0.3578 0.8223 0.1518 0.049 Uiso 1 1 calc R
C12 C 0.5455(6) 0.8077(3) 0.13223(16) 0.0411(13) Uani 1 1 d .
H12 H 0.5407 0.8541 0.1160 0.049 Uiso 1 1 calc R
C13 C 0.6620(6) 0.7582(3) 0.13428(15) 0.0357(12) Uani 1 1 d .
C14 C 0.6622(5) 0.6934(3) 0.15971(16) 0.0390(12) Uani 1 1 d .
H14 H 0.7405 0.6588 0.1624 0.047 Uiso 1 1 calc R
C15 C 0.5515(6) 0.6780(3) 0.18123(17) 0.0404(13) Uani 1 1 d .
H15 H 0.5552 0.6333 0.1986 0.048 Uiso 1 1 calc R
C16 C 1.1055(6) 0.7728(4) 0.03266(16) 0.0416(13) Uani 1 1 d .
H16 H 1.1912 0.7462 0.0385 0.050 Uiso 1 1 calc R
C17 C 1.0177(6) 0.7824(3) 0.06137(16) 0.0420(13) Uani 1 1 d .
H17 H 1.0436 0.7632 0.0867 0.050 Uiso 1 1 calc R
C18 C 0.8900(5) 0.8207(3) 0.05348(15) 0.0347(11) Uani 1 1 d .
C19 C 0.8633(6) 0.8527(3) 0.01652(16) 0.0398(12) Uani 1 1 d .
H19 H 0.7814 0.8829 0.0103 0.048 Uiso 1 1 calc R
C20 C 0.9558(5) 0.8405(3) -0.01099(16) 0.0368(12) Uani 1 1 d .
H20 H 0.9348 0.8619 -0.0362 0.044 Uiso 1 1 calc R
C21 C 0.7780(5) 0.7689(3) 0.10973(16) 0.0380(12) Uani 1 1 d .
H21 H 0.8560 0.7348 0.1149 0.046 Uiso 1 1 calc R
C22 C 0.7832(6) 0.8218(3) 0.08113(16) 0.0391(12) Uani 1 1 d .
H22 H 0.7141 0.8625 0.0784 0.047 Uiso 1 1 calc R
C23 C 0.3671(15) 0.5707(9) 0.0629(4) 0.160(6) Uani 1 1 d D
H23A H 0.3514 0.6285 0.0673 0.239 Uiso 1 1 calc R
H23B H 0.4230 0.5642 0.0407 0.239 Uiso 1 1 calc R
H23C H 0.4158 0.5468 0.0859 0.239 Uiso 1 1 calc R
C24 C 0.0993(5) 0.7202(3) 0.24398(16) 0.0364(12) Uani 1 1 d .
C25 C 0.1915(6) 0.6648(3) 0.26344(15) 0.0369(12) Uani 1 1 d .
C26 C 0.3259(5) 0.7025(3) 0.26959(16) 0.0371(12) Uani 1 1 d .
C27 C 0.3129(6) 0.7847(3) 0.25520(16) 0.0391(12) Uani 1 1 d .
C28 C 0.1751(5) 0.7948(3) 0.23824(16) 0.0359(12) Uani 1 1 d .
C29 C -0.0485(6) 0.7073(4) 0.2307(2) 0.0555(16) Uani 1 1 d .
H29A H -0.0682 0.6490 0.2294 0.083 Uiso 1 1 calc R
H29B H -0.0674 0.7312 0.2050 0.083 Uiso 1 1 calc R
H29C H -0.1072 0.7331 0.2488 0.083 Uiso 1 1 calc R
C30 C 0.1585(7) 0.5799(3) 0.27397(19) 0.0505(15) Uani 1 1 d .
H30A H 0.1441 0.5771 0.3016 0.076 Uiso 1 1 calc R
H30B H 0.2352 0.5443 0.2684 0.076 Uiso 1 1 calc R
H30C H 0.0745 0.5623 0.2589 0.076 Uiso 1 1 calc R
C31 C 0.4495(7) 0.6658(5) 0.29045(19) 0.0590(17) Uani 1 1 d .
H31A H 0.5329 0.6869 0.2798 0.089 Uiso 1 1 calc R
H31B H 0.4463 0.6067 0.2873 0.089 Uiso 1 1 calc R
H31C H 0.4511 0.6794 0.3180 0.089 Uiso 1 1 calc R
C32 C 0.4221(7) 0.8469(4) 0.2572(2) 0.0598(18) Uani 1 1 d .
H32A H 0.4042 0.8858 0.2361 0.090 Uiso 1 1 calc R
H32B H 0.5118 0.8209 0.2549 0.090 Uiso 1 1 calc R
H32C H 0.4231 0.8754 0.2820 0.090 Uiso 1 1 calc R
C33 C 0.1160(7) 0.8693(4) 0.21860(19) 0.0526(16) Uani 1 1 d .
H33A H 0.0670 0.9013 0.2370 0.079 Uiso 1 1 calc R
H33B H 0.0517 0.8535 0.1968 0.079 Uiso 1 1 calc R
H33C H 0.1908 0.9018 0.2092 0.079 Uiso 1 1 calc R
C34 C -0.4079(6) 0.2392(4) 0.06636(17) 0.0452(14) Uani 1 1 d .
C35 C -0.4084(6) 0.1923(4) 0.03164(17) 0.0466(14) Uani 1 1 d .
C36 C -0.3307(6) 0.1198(4) 0.04014(17) 0.0437(13) Uani 1 1 d .
C37 C -0.2747(5) 0.1248(3) 0.07899(16) 0.0391(12) Uani 1 1 d .
C38 C -0.3240(6) 0.1989(4) 0.09537(16) 0.0404(13) Uani 1 1 d .
C39 C -0.4793(7) 0.3186(4) 0.0691(2) 0.0607(18) Uani 1 1 d .
H39A H -0.4593 0.3413 0.0950 0.091 Uiso 1 1 calc R
H39B H -0.5791 0.3108 0.0643 0.091 Uiso 1 1 calc R
H39C H -0.4467 0.3561 0.0499 0.091 Uiso 1 1 calc R
C40 C -0.4876(7) 0.2128(5) -0.00593(19) 0.0625(19) Uani 1 1 d .
H40A H -0.5858 0.2017 -0.0039 0.094 Uiso 1 1 calc R
H40B H -0.4537 0.1797 -0.0267 0.094 Uiso 1 1 calc R
H40C H -0.4750 0.2703 -0.0118 0.094 Uiso 1 1 calc R
C41 C -0.3083(7) 0.0527(4) 0.0126(2) 0.0608(18) Uani 1 1 d .
H41A H -0.2134 0.0327 0.0170 0.091 Uiso 1 1 calc R
H41B H -0.3239 0.0727 -0.0139 0.091 Uiso 1 1 calc R
H41C H -0.3728 0.0084 0.0167 0.091 Uiso 1 1 calc R
C42 C -0.1917(7) 0.0613(4) 0.10033(19) 0.0513(15) Uani 1 1 d .
H42A H -0.2535 0.0220 0.1113 0.077 Uiso 1 1 calc R
H42B H -0.1330 0.0865 0.1212 0.077 Uiso 1 1 calc R
H42C H -0.1338 0.0335 0.0826 0.077 Uiso 1 1 calc R
C43 C -0.2864(7) 0.2260(4) 0.13593(17) 0.0543(16) Uani 1 1 d .
H43A H -0.3105 0.2833 0.1386 0.081 Uiso 1 1 calc R
H43B H -0.1870 0.2190 0.1420 0.081 Uiso 1 1 calc R
H43C H -0.3370 0.1935 0.1538 0.081 Uiso 1 1 calc R
C44 C 0.2252(7) 0.0045(4) 0.1056(2) 0.0538(16) Uani 1 1 d .
C45 C 0.7782(6) 0.4887(4) 0.29083(19) 0.0523(15) Uani 1 1 d .
C46 C 0.8088(12) 0.6276(5) 0.0132(3) 0.115(4) Uani 1 1 d .
H46A H 0.7941 0.6519 0.0384 0.172 Uiso 1 1 calc R
H46B H 0.7722 0.6639 -0.0074 0.172 Uiso 1 1 calc R
H46C H 0.9078 0.6194 0.0111 0.172 Uiso 1 1 calc R
O14 O 0.7421(9) 0.5544(4) 0.0099(2) 0.109(2) Uani 1 1 d .
H14A H 0.7473 0.5361 -0.0125 0.164 Uiso 1 1 calc R
C47 C 0.7241(10) 0.4814(7) 0.1303(3) 0.108(4) Uani 1 1 d .
H47A H 0.6711 0.5147 0.1473 0.162 Uiso 1 1 calc R
H47B H 0.6920 0.4252 0.1309 0.162 Uiso 1 1 calc R
H47C H 0.7112 0.5022 0.1038 0.162 Uiso 1 1 calc R
O15 O 0.8555(7) 0.4845(6) 0.1422(2) 0.125(3) Uani 1 1 d .
H15' H 0.860(9) 0.489(5) 0.168(3) 0.09(3) Uiso 1 1 d .
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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
N3 Rh1 O1 85.57(15) . .
N3 Rh1 C26 110.14(19) . .
O1 Rh1 C26 108.25(17) . .
N3 Rh1 C28 117.96(18) . .
O1 Rh1 C28 156.44(17) . .
C26 Rh1 C28 66.4(2) . .
N3 Rh1 C24 157.83(18) . .
O1 Rh1 C24 116.54(17) . .
C26 Rh1 C24 66.3(2) . .
C28 Rh1 C24 39.9(2) . .
N3 Rh1 C25 148.28(19) . .
O1 Rh1 C25 95.11(17) . .
C26 Rh1 C25 39.7(2) . .
C28 Rh1 C25 65.8(2) . .
C24 Rh1 C25 38.6(2) . .
N3 Rh1 O2 87.16(16) . .
O1 Rh1 O2 78.52(14) . .
C26 Rh1 O2 161.56(18) . .
C28 Rh1 O2 100.31(18) . .
C24 Rh1 O2 95.27(19) . .
C25 Rh1 O2 124.13(19) . .
N3 Rh1 C27 96.91(19) . .
O1 Rh1 C27 146.39(19) . .
C26 Rh1 C27 39.6(2) . .
C28 Rh1 C27 39.1(2) . .
C24 Rh1 C27 66.0(2) . .
C25 Rh1 C27 65.7(2) . .
O2 Rh1 C27 134.99(19) . .
N4 Rh2 C35 110.8(2) 3_665 .
N4 Rh2 C37 116.76(19) 3_665 .
C35 Rh2 C37 65.9(2) . .
N4 Rh2 C38 156.4(2) 3_665 .
C35 Rh2 C38 65.7(2) . .
C37 Rh2 C38 39.7(2) . .
N4 Rh2 O4 85.31(16) 3_665 .
C35 Rh2 O4 163.22(19) . .
C37 Rh2 O4 103.22(18) . .
C38 Rh2 O4 97.69(18) . .
N4 Rh2 C36 96.6(2) 3_665 .
C35 Rh2 C36 39.3(2) . .
C37 Rh2 C36 38.8(2) . .
C38 Rh2 C36 65.5(2) . .
O4 Rh2 C36 137.45(19) . .
N4 Rh2 C34 148.8(2) 3_665 .
C35 Rh2 C34 39.3(2) . .
C37 Rh2 C34 65.5(2) . .
C38 Rh2 C34 38.5(2) . .
O4 Rh2 C34 125.43(19) . .
C36 Rh2 C34 65.3(2) . .
N4 Rh2 O5 87.60(17) 3_665 .
C35 Rh2 O5 106.3(2) . .
C37 Rh2 O5 155.62(19) . .
C38 Rh2 O5 116.01(19) . .
O4 Rh2 O5 78.21(14) . .
C36 Rh2 O5 144.2(2) . .
C34 Rh2 O5 93.5(2) . .
N1 Cu1 N2 82.30(19) . .
N1 Cu1 O3 83.62(18) . .
N2 Cu1 O3 165.17(18) . .
N1 Cu1 O6 165.04(18) . .
N2 Cu1 O6 83.06(18) . .
O3 Cu1 O6 110.68(17) . .
N1 Cu1 O7 91.7(3) . .
N2 Cu1 O7 97.6(3) . .
O3 Cu1 O7 87.4(3) . .
O6 Cu1 O7 93.3(3) . .
C7 N1 C1 129.5(5) . .
C7 N1 Cu1 115.6(4) . .
C1 N1 Cu1 114.9(3) . .
C9 N2 C2 129.4(5) . .
C9 N2 Cu1 115.1(4) . .
C2 N2 Cu1 114.8(3) . .
C15 N3 C11 118.8(5) . .
C15 N3 Rh1 120.4(3) . .
C11 N3 Rh1 120.7(4) . .
C20 N4 C16 118.1(5) . .
C20 N4 Rh2 121.1(4) . 3_665
C16 N4 Rh2 120.8(4) . 3_665
C7 O1 Rh1 112.2(3) . .
C8 O2 Rh1 112.4(3) . .
C8 O3 Cu1 110.1(4) . .
C9 O4 Rh2 111.9(3) . .
C10 O5 Rh2 112.6(4) . .
C10 O6 Cu1 110.5(4) . .
C23 O7 Cu1 128.1(8) . .
O10 S1 O9 115.8(3) . .
O10 S1 O8 115.1(3) . .
O9 S1 O8 114.5(3) . .
O10 S1 C44 102.8(3) . .
O9 S1 C44 102.4(3) . .
O8 S1 C44 103.8(3) . .
O12 S2 O11 115.1(3) . .
O12 S2 O13 115.9(3) . .
O11 S2 O13 114.2(3) . .
O12 S2 C45 102.7(3) . .
O11 S2 C45 104.2(3) . .
O13 S2 C45 102.4(3) . .
C6 C1 C2 120.2(5) . .
C6 C1 N1 126.0(5) . .
C2 C1 N1 113.7(5) . .
C3 C2 N2 126.3(5) . .
C3 C2 C1 119.8(5) . .
N2 C2 C1 113.8(5) . .
C2 C3 C4 119.7(5) . .
C5 C4 C3 120.1(5) . .
C4 C5 C6 121.3(5) . .
C1 C6 C5 118.9(5) . .
O1 C7 N1 129.3(5) . .
O1 C7 C8 119.4(5) . .
N1 C7 C8 111.3(5) . .
O2 C8 O3 124.3(5) . .
O2 C8 C7 116.5(5) . .
O3 C8 C7 119.2(5) . .
O4 C9 N2 129.9(5) . .
O4 C9 C10 118.9(5) . .
N2 C9 C10 111.2(5) . .
O5 C10 O6 124.9(6) . .
O5 C10 C9 116.3(5) . .
O6 C10 C9 118.7(5) . .
N3 C11 C12 122.8(5) . .
C11 C12 C13 119.4(5) . .
C14 C13 C12 116.5(5) . .
C14 C13 C21 119.7(5) . .
C12 C13 C21 123.7(5) . .
C15 C14 C13 121.6(5) . .
N3 C15 C14 120.8(5) . .
N4 C16 C17 122.1(5) . .
C16 C17 C18 120.1(5) . .
C19 C18 C17 116.8(5) . .
C19 C18 C22 120.4(5) . .
C17 C18 C22 122.6(5) . .
C20 C19 C18 119.9(5) . .
N4 C20 C19 122.8(5) . .
C22 C21 C13 125.9(5) . .
C21 C22 C18 123.5(5) . .
C25 C24 C28 107.6(5) . .
C25 C24 C29 128.1(5) . .
C28 C24 C29 124.3(5) . .
C25 C24 Rh1 70.8(3) . .
C28 C24 Rh1 69.5(3) . .
C29 C24 Rh1 124.5(4) . .
C24 C25 C26 108.9(5) . .
C24 C25 C30 125.8(5) . .
C26 C25 C30 125.2(5) . .
C24 C25 Rh1 70.7(3) . .
C26 C25 Rh1 69.3(3) . .
C30 C25 Rh1 123.5(4) . .
C27 C26 C25 107.3(5) . .
C27 C26 C31 126.6(5) . .
C25 C26 C31 125.8(5) . .
C27 C26 Rh1 71.6(3) . .
C25 C26 Rh1 70.9(3) . .
C31 C26 Rh1 127.4(4) . .
C28 C27 C26 107.7(4) . .
C28 C27 C32 126.0(6) . .
C26 C27 C32 126.3(6) . .
C28 C27 Rh1 69.3(3) . .
C26 C27 Rh1 68.9(3) . .
C32 C27 Rh1 126.8(4) . .
C27 C28 C24 108.3(5) . .
C27 C28 C33 126.6(5) . .
C24 C28 C33 125.1(5) . .
C27 C28 Rh1 71.7(3) . .
C24 C28 Rh1 70.6(3) . .
C33 C28 Rh1 124.4(4) . .
C38 C34 C35 108.1(5) . .
C38 C34 C39 127.9(6) . .
C35 C34 C39 123.9(6) . .
C38 C34 Rh2 70.2(3) . .
C35 C34 Rh2 68.9(3) . .
C39 C34 Rh2 124.0(4) . .
C36 C35 C34 108.1(5) . .
C36 C35 C40 126.5(6) . .
C34 C35 C40 125.3(6) . .
C36 C35 Rh2 71.8(3) . .
C34 C35 Rh2 71.8(3) . .
C40 C35 Rh2 126.1(4) . .
C37 C36 C35 107.8(5) . .
C37 C36 C41 126.1(6) . .
C35 C36 C41 126.1(6) . .
C37 C36 Rh2 69.7(3) . .
C35 C36 Rh2 68.9(3) . .
C41 C36 Rh2 125.1(4) . .
C36 C37 C38 108.0(5) . .
C36 C37 C42 126.0(5) . .
C38 C37 C42 125.7(5) . .
C36 C37 Rh2 71.5(3) . .
C38 C37 Rh2 70.6(3) . .
C42 C37 Rh2 128.0(4) . .
C34 C38 C37 108.0(5) . .
C34 C38 C43 128.1(6) . .
C37 C38 C43 124.0(5) . .
C34 C38 Rh2 71.2(3) . .
C37 C38 Rh2 69.7(3) . .
C43 C38 Rh2 123.5(4) . .
F3 C44 F1 106.5(6) . .
F3 C44 F2 109.8(6) . .
F1 C44 F2 105.6(6) . .
F3 C44 S1 112.1(5) . .
F1 C44 S1 111.1(4) . .
F2 C44 S1 111.5(5) . .
F5 C45 F6 107.0(6) . .
F5 C45 F4 106.7(5) . .
F6 C45 F4 106.3(6) . .
F5 C45 S2 112.2(5) . .
F6 C45 S2 111.7(4) . .
F4 C45 S2 112.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N3 2.107(4) .
Rh1 O1 2.117(3) .
Rh1 C26 2.120(5) .
Rh1 C28 2.124(5) .
Rh1 C24 2.140(5) .
Rh1 C25 2.141(5) .
Rh1 O2 2.156(4) .
Rh1 C27 2.156(5) .
Rh2 N4 2.102(4) 3_665
Rh2 C35 2.110(5) .
Rh2 C37 2.123(5) .
Rh2 C38 2.136(5) .
Rh2 O4 2.137(3) .
Rh2 C36 2.148(5) .
Rh2 C34 2.149(5) .
Rh2 O5 2.150(4) .
Cu1 N1 1.924(5) .
Cu1 N2 1.947(5) .
Cu1 O3 2.008(4) .
Cu1 O6 2.018(4) .
Cu1 O7 2.420(10) .
N1 C7 1.302(7) .
N1 C1 1.415(7) .
N2 C9 1.305(7) .
N2 C2 1.401(7) .
N3 C15 1.331(7) .
N3 C11 1.345(7) .
N4 C20 1.335(7) .
N4 C16 1.356(7) .
N4 Rh2 2.103(4) 3_665
O1 C7 1.249(6) .
O2 C8 1.248(7) .
O3 C8 1.257(7) .
O4 C9 1.248(6) .
O5 C10 1.245(7) .
O6 C10 1.259(7) .
O7 C23 1.512(13) .
O8 S1 1.437(4) .
O9 S1 1.426(4) .
O10 S1 1.416(4) .
O11 S2 1.425(4) .
O12 S2 1.415(5) .
O13 S2 1.440(4) .
S1 C44 1.822(6) .
S2 C45 1.804(7) .
F1 C44 1.329(8) .
F2 C44 1.337(8) .
F3 C44 1.317(8) .
F4 C45 1.342(8) .
F5 C45 1.324(8) .
F6 C45 1.338(7) .
C1 C6 1.381(7) .
C1 C2 1.413(7) .
C2 C3 1.382(8) .
C3 C4 1.383(8) .
C4 C5 1.382(8) .
C5 C6 1.383(8) .
C7 C8 1.533(8) .
C9 C10 1.548(8) .
C11 C12 1.374(8) .
C12 C13 1.393(8) .
C13 C14 1.386(7) .
C13 C21 1.476(7) .
C14 C15 1.380(8) .
C16 C17 1.370(8) .
C17 C18 1.401(8) .
C18 C19 1.394(7) .
C18 C22 1.468(7) .
C19 C20 1.376(8) .
C21 C22 1.325(8) .
C24 C25 1.414(8) .
C24 C28 1.455(7) .
C24 C29 1.491(8) .
C25 C26 1.448(8) .
C25 C30 1.488(8) .
C26 C27 1.447(8) .
C26 C31 1.484(8) .
C27 C28 1.432(8) .
C27 C32 1.474(8) .
C28 C33 1.498(8) .
C34 C38 1.413(8) .
C34 C35 1.432(9) .
C34 C39 1.489(9) .
C35 C36 1.432(9) .
C35 C40 1.502(8) .
C36 C37 1.418(8) .
C36 C41 1.489(9) .
C37 C38 1.445(8) .
C37 C42 1.485(8) .
C38 C43 1.496(8) .
C46 O14 1.371(11) .
C47 O15 1.313(11) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C12 H12 O8 0.95 2.41 3.329(7) 162.4 1_565
O14 H14A O7 0.84 1.83 2.654(12) 165.1 3_665
O15 H15' O13 0.91(9) 1.89(9) 2.792(8) 174(8) .
C15 H15 O12 0.95 2.40 3.332(7) 166.0 .
