#------------------------------------------------------------------------------
#$Date: 2016-03-22 13:01:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178969 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/98/4119836.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_4119836
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            'C86 H92 Cu2 F12 N8 O26 Rh4 S4'
_chemical_formula_weight         2548.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 115.660(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.1252(18)
_cell_length_b                   17.8848(18)
_cell_length_c                   18.1859(19)
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      2.39
_cell_volume                     5313.9(9)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33605
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.25
_diffrn_standards_decay_%        5.64
_exptl_absorpt_coefficient_mu    1.171
_exptl_absorpt_correction_T_max  0.8439
_exptl_absorpt_correction_T_min  0.5499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_description       sheet
_exptl_crystal_F_000             2564
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_platon_squeeze_details          ' '
_refine_diff_density_max         4.980
_refine_diff_density_min         -1.732
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.461
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         10415
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.471
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.1096
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3247
_refine_ls_wR_factor_ref         0.3505
_reflns_number_gt                7800
_reflns_number_total             10415
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja402630g_si_001_1.cif
_cod_data_source_block           2
_cod_original_cell_volume        5313.8(9)
_cod_database_code               4119836
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.51939(4) 0.03594(4) 0.31563(4) 0.0628(3) Uani 1 1 d . . .
Rh2 Rh 1.01532(4) 0.32758(3) 0.76920(4) 0.0525(3) Uani 1 1 d . . .
Cu1 Cu 0.79239(7) 0.14113(6) 0.56062(6) 0.0656(4) Uani 1 1 d D . .
S1 S 0.8080(2) 0.8867(2) 0.9672(3) 0.1061(11) Uani 1 1 d . . .
N1 N 0.7269(4) 0.1620(4) 0.4457(4) 0.0544(15) Uani 1 1 d . A .
N2 N 0.8477(4) 0.2310(3) 0.5552(4) 0.0478(13) Uani 1 1 d . A .
N3 N 0.6078(4) -0.0309(4) 0.3015(5) 0.0608(17) Uani 1 1 d . . .
N4 N 0.8984(4) -0.2582(3) 0.2470(4) 0.0500(14) Uani 1 1 d . . .
O1 O 0.5926(3) 0.0231(3) 0.4436(3) 0.0574(13) Uani 1 1 d . A .
O2 O 0.6067(4) 0.1227(3) 0.3395(4) 0.0592(13) Uani 1 1 d . . .
O3 O 0.7074(4) 0.0637(3) 0.5442(3) 0.0653(15) Uani 1 1 d . A .
O4 O 0.9515(3) 0.2266(3) 0.7658(3) 0.0560(13) Uani 1 1 d . . .
O5 O 0.9436(3) 0.3142(3) 0.6410(3) 0.0566(13) Uani 1 1 d . A .
O6 O 0.8562(4) 0.1518(3) 0.6795(3) 0.0542(13) Uani 1 1 d . A .
O8 O 0.7920(9) 0.9157(8) 1.0300(8) 0.154(5) Uani 1 1 d . . .
O9 O 0.7725(11) 0.9147(13) 0.8896(14) 0.227(8) Uani 1 1 d U . .
O10 O 0.8188(14) 0.8120(9) 0.9711(13) 0.221(8) Uani 1 1 d U . .
F1 F 0.9531(11) 0.9022(9) 1.0689(9) 0.220(6) Uani 1 1 d U . .
F2 F 0.9393(7) 0.8997(10) 0.9483(9) 0.221(8) Uani 1 1 d . . .
F3 F 0.9066(7) 0.9958(6) 0.9918(9) 0.163(4) Uani 1 1 d . . .
C1 C 0.6549(5) 0.0642(5) 0.4711(5) 0.0527(17) Uani 1 1 d . . .
C2 C 0.6619(5) 0.1211(5) 0.4105(4) 0.0524(17) Uani 1 1 d . A .
C3 C 0.7568(4) 0.2208(4) 0.4157(4) 0.0484(16) Uani 1 1 d . . .
C4 C 0.7286(5) 0.2425(5) 0.3326(5) 0.0558(18) Uani 1 1 d . A .
H4 H 0.6837 0.2173 0.2911 0.067 Uiso 1 1 calc R . .
C5 C 0.7665(5) 0.2996(5) 0.3130(5) 0.060(2) Uani 1 1 d . . .
H5 H 0.7474 0.3141 0.2575 0.072 Uiso 1 1 calc R A .
C6 C 0.8306(6) 0.3358(5) 0.3706(6) 0.064(2) Uani 1 1 d . A .
H6 H 0.8558 0.3751 0.3547 0.077 Uiso 1 1 calc R . .
C7 C 0.8608(5) 0.3174(4) 0.4524(5) 0.0539(18) Uani 1 1 d . . .
H7 H 0.9058 0.3439 0.4922 0.065 Uiso 1 1 calc R A .
C8 C 0.8240(5) 0.2596(4) 0.4751(4) 0.0476(16) Uani 1 1 d . A .
C9 C 0.8997(5) 0.2570(4) 0.6245(4) 0.0482(16) Uani 1 1 d . . .
C10 C 0.9034(5) 0.2068(4) 0.6974(4) 0.0491(16) Uani 1 1 d . A .
C11 C 0.6335(6) -0.0965(5) 0.3421(6) 0.066(2) Uani 1 1 d . . .
H11 H 0.6125 -0.1112 0.3795 0.079 Uiso 1 1 calc R . .
C12 C 0.6863(6) -0.1407(5) 0.3316(6) 0.063(2) Uani 1 1 d . . .
H12 H 0.7004 -0.1870 0.3600 0.075 Uiso 1 1 calc R . .
C13 C 0.7228(5) -0.1214(4) 0.2794(5) 0.0514(17) Uani 1 1 d . . .
C14 C 0.6978(6) -0.0514(5) 0.2398(6) 0.065(2) Uani 1 1 d . . .
H14 H 0.7203 -0.0338 0.2045 0.078 Uiso 1 1 calc R . .
C15 C 0.6427(7) -0.0101(6) 0.2520(7) 0.074(3) Uani 1 1 d . . .
H15 H 0.6271 0.0365 0.2245 0.089 Uiso 1 1 calc R . .
C16 C 0.8790(6) -0.2683(5) 0.3083(5) 0.063(2) Uani 1 1 d . . .
H16 H 0.9065 -0.3066 0.3466 0.075 Uiso 1 1 calc R . .
C17 C 0.8209(6) -0.2262(5) 0.3200(5) 0.063(2) Uani 1 1 d . . .
H17 H 0.8079 -0.2367 0.3643 0.075 Uiso 1 1 calc R . .
C18 C 0.7823(5) -0.1689(4) 0.2666(5) 0.0534(18) Uani 1 1 d . . .
C19 C 0.8041(6) -0.1576(5) 0.2041(6) 0.061(2) Uani 1 1 d . . .
H19 H 0.7796 -0.1180 0.1665 0.074 Uiso 1 1 calc R . .
C20 C 0.8613(6) -0.2030(5) 0.1950(6) 0.064(2) Uani 1 1 d . . .
H20 H 0.8745 -0.1945 0.1505 0.077 Uiso 1 1 calc R . .
C21 C 0.4057(3) 0.0572(3) 0.3201(3) 0.081(3) Uani 1 1 d G . .
C22 C 0.4134(4) 0.1009(4) 0.2587(3) 0.089(3) Uani 1 1 d G . .
C23 C 0.4204(4) 0.0513(4) 0.2010(3) 0.122(5) Uani 1 1 d GU . .
C24 C 0.4170(3) -0.0229(4) 0.2269(3) 0.101(4) Uani 1 1 d G . .
C25 C 0.4079(3) -0.0193(3) 0.3004(3) 0.087(3) Uani 1 1 d G . .
C26 C 0.3967(5) 0.0869(4) 0.3934(5) 0.100(4) Uani 1 1 d G . .
H26A H 0.4458 0.1152 0.4280 0.150 Uiso 1 1 calc R . .
H26B H 0.3896 0.0451 0.4246 0.150 Uiso 1 1 calc R . .
H26C H 0.3487 0.1197 0.3753 0.150 Uiso 1 1 calc R . .
C27 C 0.4141(6) 0.1851(5) 0.2552(6) 0.160(8) Uani 1 1 d G . .
H27A H 0.3590 0.2042 0.2414 0.240 Uiso 1 1 calc R . .
H27B H 0.4314 0.2010 0.2135 0.240 Uiso 1 1 calc R . .
H27C H 0.4523 0.2048 0.3084 0.240 Uiso 1 1 calc R . .
C28 C 0.4298(6) 0.0737(6) 0.1256(5) 0.158(9) Uani 1 1 d G . .
H28A H 0.4686 0.0399 0.1181 0.237 Uiso 1 1 calc R . .
H28B H 0.4504 0.1251 0.1317 0.237 Uiso 1 1 calc R . .
H28C H 0.3766 0.0706 0.0780 0.237 Uiso 1 1 calc R . .
C29 C 0.4222(5) -0.0933(5) 0.1837(5) 0.128(6) Uani 1 1 d G . .
H29A H 0.4542 -0.1309 0.2241 0.193 Uiso 1 1 calc R . .
H29B H 0.4487 -0.0822 0.1481 0.193 Uiso 1 1 calc R . .
H29C H 0.3669 -0.1126 0.1508 0.193 Uiso 1 1 calc R . .
C30 C 0.4017(5) -0.0852(4) 0.3492(5) 0.122(5) Uani 1 1 d G . .
H30A H 0.3510 -0.0814 0.3559 0.183 Uiso 1 1 calc R . .
H30B H 0.4487 -0.0853 0.4029 0.183 Uiso 1 1 calc R . .
H30C H 0.4012 -0.1316 0.3204 0.183 Uiso 1 1 calc R . .
C31 C 1.0961(6) 0.3870(5) 0.8755(6) 0.070(3) Uani 1 1 d . . .
C32 C 1.0768(8) 0.4320(5) 0.8071(8) 0.080(3) Uani 1 1 d . . .
C33 C 0.9887(9) 0.4434(6) 0.7733(8) 0.106(5) Uani 1 1 d . . .
C34 C 0.9600(7) 0.4028(7) 0.8210(11) 0.098(4) Uani 1 1 d . . .
C35 C 1.0241(8) 0.3682(6) 0.8807(7) 0.079(3) Uani 1 1 d . . .
C36 C 1.1817(8) 0.3622(8) 0.9335(9) 0.108(5) Uani 1 1 d . . .
H36A H 1.1968 0.3847 0.9872 0.163 Uiso 1 1 calc R . .
H36B H 1.2205 0.3783 0.9123 0.163 Uiso 1 1 calc R . .
H36C H 1.1831 0.3076 0.9384 0.163 Uiso 1 1 calc R . .
C37 C 1.1389(12) 0.4640(8) 0.7806(13) 0.130(6) Uani 1 1 d . . .
H37A H 1.1725 0.5014 0.8203 0.195 Uiso 1 1 calc R . .
H37B H 1.1103 0.4875 0.7269 0.195 Uiso 1 1 calc R . .
H37C H 1.1741 0.4237 0.7774 0.195 Uiso 1 1 calc R . .
C38 C 0.9417(17) 0.4878(10) 0.6962(12) 0.186(11) Uani 1 1 d . . .
H38A H 0.9350 0.5394 0.7105 0.279 Uiso 1 1 calc R . .
H38B H 0.8877 0.4651 0.6655 0.279 Uiso 1 1 calc R . .
H38C H 0.9719 0.4877 0.6627 0.279 Uiso 1 1 calc R . .
C39 C 0.8681(12) 0.400(2) 0.792(3) 0.31(3) Uani 1 1 d . . .
H39A H 0.8516 0.4372 0.8213 0.459 Uiso 1 1 calc R . .
H39B H 0.8524 0.3499 0.8025 0.459 Uiso 1 1 calc R . .
H39C H 0.8407 0.4102 0.7333 0.459 Uiso 1 1 calc R . .
C40 C 1.0137(12) 0.3227(9) 0.9399(12) 0.138(7) Uani 1 1 d . . .
H40A H 1.0447 0.2762 0.9473 0.207 Uiso 1 1 calc R . .
H40B H 0.9555 0.3110 0.9211 0.207 Uiso 1 1 calc R . .
H40C H 1.0337 0.3496 0.9919 0.207 Uiso 1 1 calc R . .
C41 C 0.9062(9) 0.9240(9) 0.9932(11) 0.116(5) Uani 1 1 d . . .
C42 C 0.9967(15) 0.0890(9) 0.6161(9) 0.118(10) Uani 0.64(2) 1 d PD A 1
O7 O 0.9119(13) 0.0616(9) 0.5657(10) 0.123(7) Uani 0.64(2) 1 d PD A 1
C42' C 0.8357(18) 0.0109(14) 0.4590(11) 0.069(8) Uani 0.36(2) 1 d PD A 2
O7' O 0.8673(11) 0.0463(10) 0.5357(10) 0.050(5) Uani 0.36(2) 1 d PD A 2
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'
Cu Cu 0.3201 1.2651 '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
C22 Rh1 C23 39.57(12) . .
C22 Rh1 N3 147.0(3) . .
C23 Rh1 N3 108.8(3) . .
C22 Rh1 O2 98.0(2) . .
C23 Rh1 O2 110.4(2) . .
N3 Rh1 O2 84.3(3) . .
C22 Rh1 C21 39.22(11) . .
C23 Rh1 C21 65.75(18) . .
N3 Rh1 C21 155.1(3) . .
O2 Rh1 C21 120.6(2) . .
C22 Rh1 O1 127.1(2) . .
C23 Rh1 O1 163.3(2) . .
N3 Rh1 O1 85.7(3) . .
O2 Rh1 O1 78.4(2) . .
C21 Rh1 O1 97.6(2) . .
C22 Rh1 C24 65.72(18) . .
C23 Rh1 C24 39.15(12) . .
N3 Rh1 C24 95.0(3) . .
O2 Rh1 C24 147.3(2) . .
C21 Rh1 C24 65.09(17) . .
O1 Rh1 C24 134.2(2) . .
C22 Rh1 C25 65.35(17) . .
C23 Rh1 C25 65.30(18) . .
N3 Rh1 C25 116.5(3) . .
O2 Rh1 C25 159.3(2) . .
C21 Rh1 C25 38.63(10) . .
O1 Rh1 C25 101.3(2) . .
C24 Rh1 C25 38.60(11) . .
C35 Rh2 N4 126.0(4) . 3_756
C35 Rh2 C34 37.3(5) . .
N4 Rh2 C34 162.2(4) 3_756 .
C35 Rh2 O4 97.8(3) . .
N4 Rh2 O4 85.6(2) 3_756 .
C34 Rh2 O4 101.3(4) . .
C35 Rh2 C32 64.7(4) . .
N4 Rh2 C32 104.1(4) 3_756 .
C34 Rh2 C32 65.3(5) . .
O4 Rh2 C32 162.5(3) . .
C35 Rh2 C31 38.3(4) . .
N4 Rh2 C31 99.2(3) 3_756 .
C34 Rh2 C31 63.5(4) . .
O4 Rh2 C31 126.8(3) . .
C32 Rh2 C31 38.1(4) . .
C35 Rh2 O5 148.3(4) . .
N4 Rh2 O5 85.4(2) 3_756 .
C34 Rh2 O5 111.9(5) . .
O4 Rh2 O5 78.9(2) . .
C32 Rh2 O5 115.9(4) . .
C31 Rh2 O5 154.0(3) . .
C35 Rh2 C33 63.5(5) . .
N4 Rh2 C33 140.0(6) 3_756 .
C34 Rh2 C33 38.1(6) . .
O4 Rh2 C33 134.1(6) . .
C32 Rh2 C33 39.9(5) . .
C31 Rh2 C33 64.0(4) . .
O5 Rh2 C33 96.1(3) . .
N2 Cu1 N1 82.7(3) . .
N2 Cu1 O6 84.5(2) . .
N1 Cu1 O6 163.3(3) . .
N2 Cu1 O3 163.8(3) . .
N1 Cu1 O3 84.2(3) . .
O6 Cu1 O3 106.3(2) . .
N2 Cu1 O7' 103.7(5) . .
N1 Cu1 O7' 93.8(5) . .
O6 Cu1 O7' 99.7(4) . .
O3 Cu1 O7' 86.7(5) . .
N2 Cu1 O7 90.8(5) . .
N1 Cu1 O7 105.0(4) . .
O6 Cu1 O7 85.9(4) . .
O3 Cu1 O7 101.9(5) . .
O7' Cu1 O7 18.1(4) . .
O10 S1 O9 114.2(14) . .
O10 S1 O8 113.7(11) . .
O9 S1 O8 122.4(12) . .
O10 S1 C41 104.8(11) . .
O9 S1 C41 96.2(11) . .
O8 S1 C41 100.6(8) . .
C2 N1 C3 130.9(7) . .
C2 N1 Cu1 115.1(5) . .
C3 N1 Cu1 113.9(5) . .
C9 N2 C8 129.6(6) . .
C9 N2 Cu1 115.4(5) . .
C8 N2 Cu1 114.9(5) . .
C11 N3 C15 116.7(8) . .
C11 N3 Rh1 121.7(6) . .
C15 N3 Rh1 121.5(6) . .
C16 N4 C20 117.7(7) . .
C16 N4 Rh2 121.4(5) . 3_756
C20 N4 Rh2 120.8(5) . 3_756
C1 O1 Rh1 113.5(5) . .
C2 O2 Rh1 112.8(5) . .
C1 O3 Cu1 109.6(5) . .
C10 O4 Rh2 114.5(5) . .
C9 O5 Rh2 112.2(5) . .
C10 O6 Cu1 111.9(5) . .
O3 C1 O1 123.8(7) . .
O3 C1 C2 120.0(7) . .
O1 C1 C2 116.0(7) . .
O2 C2 N1 130.5(8) . .
O2 C2 C1 118.5(7) . .
N1 C2 C1 110.9(6) . .
N1 C3 C8 115.0(6) . .
N1 C3 C4 126.7(7) . .
C8 C3 C4 118.2(7) . .
C5 C4 C3 119.5(8) . .
C6 C5 C4 121.3(7) . .
C5 C6 C7 122.0(8) . .
C6 C7 C8 118.6(8) . .
C7 C8 C3 120.4(7) . .
C7 C8 N2 127.0(7) . .
C3 C8 N2 112.6(6) . .
O5 C9 N2 130.6(7) . .
O5 C9 C10 118.2(6) . .
N2 C9 C10 111.2(6) . .
O4 C10 O6 126.9(7) . .
O4 C10 C9 116.2(7) . .
O6 C10 C9 116.9(6) . .
C12 C11 N3 122.7(8) . .
C11 C12 C13 122.0(9) . .
C12 C13 C14 114.8(7) . .
C12 C13 C18 123.6(7) . .
C14 C13 C18 121.6(7) . .
C15 C14 C13 120.0(9) . .
C14 C15 N3 123.7(9) . .
N4 C16 C17 123.7(8) . .
C18 C17 C16 119.0(8) . .
C19 C18 C17 117.0(8) . .
C19 C18 C13 122.8(8) . .
C17 C18 C13 120.1(8) . .
C18 C19 C20 120.9(8) . .
N4 C20 C19 121.7(8) . .
C25 C21 C22 108.0 . .
C25 C21 C26 126.0 . .
C22 C21 C26 126.0 . .
C25 C21 Rh1 71.64(18) . .
C22 C21 Rh1 68.98(19) . .
C26 C21 Rh1 124.96(17) . .
C23 C22 C21 108.0 . .
C23 C22 C27 126.0 . .
C21 C22 C27 126.0 . .
C23 C22 Rh1 70.32(17) . .
C21 C22 Rh1 71.80(18) . .
C27 C22 Rh1 123.52(18) . .
C24 C23 C22 108.0 . .
C24 C23 C28 126.0 . .
C22 C23 C28 126.0 . .
C24 C23 Rh1 71.90(19) . .
C22 C23 Rh1 70.11(17) . .
C28 C23 Rh1 123.63(16) . .
C23 C24 C25 108.0 . .
C23 C24 C29 126.0 . .
C25 C24 C29 126.0 . .
C23 C24 Rh1 68.96(19) . .
C25 C24 Rh1 71.50(17) . .
C29 C24 Rh1 125.12(17) . .
C21 C25 C24 108.0 . .
C21 C25 C30 126.0 . .
C24 C25 C30 126.0 . .
C21 C25 Rh1 69.72(17) . .
C24 C25 Rh1 69.90(17) . .
C30 C25 Rh1 125.95(18) . .
C35 C31 C32 108.7(9) . .
C35 C31 C36 126.2(12) . .
C32 C31 C36 125.1(12) . .
C35 C31 Rh2 69.3(5) . .
C32 C31 Rh2 70.8(6) . .
C36 C31 Rh2 125.3(7) . .
C31 C32 C33 105.2(11) . .
C31 C32 C37 124.7(13) . .
C33 C32 C37 130.0(14) . .
C31 C32 Rh2 71.1(5) . .
C33 C32 Rh2 70.2(6) . .
C37 C32 Rh2 125.8(8) . .
C34 C33 C32 107.6(10) . .
C34 C33 C38 129.7(18) . .
C32 C33 C38 122.6(19) . .
C34 C33 Rh2 70.6(6) . .
C32 C33 Rh2 69.9(5) . .
C38 C33 Rh2 121.5(10) . .
C35 C34 C33 108.5(10) . .
C35 C34 C39 134(2) . .
C33 C34 C39 117(2) . .
C35 C34 Rh2 70.1(6) . .
C33 C34 Rh2 71.3(7) . .
C39 C34 Rh2 118.8(11) . .
C34 C35 C31 109.9(11) . .
C34 C35 C40 121.3(14) . .
C31 C35 C40 128.7(13) . .
C34 C35 Rh2 72.7(7) . .
C31 C35 Rh2 72.4(6) . .
C40 C35 Rh2 123.6(8) . .
F2 C41 F3 108.7(19) . .
F2 C41 F1 107.2(14) . .
F3 C41 F1 107.9(15) . .
F2 C41 S1 113.4(12) . .
F3 C41 S1 112.8(10) . .
F1 C41 S1 106.6(16) . .
C42 O7 Cu1 118.1(14) . .
C42' O7' Cu1 119.8(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C22 2.095(5) .
Rh1 C23 2.097(5) .
Rh1 N3 2.103(7) .
Rh1 O2 2.123(6) .
Rh1 C21 2.132(5) .
Rh1 O1 2.134(6) .
Rh1 C24 2.136(5) .
Rh1 C25 2.157(5) .
Rh2 C35 2.094(10) .
Rh2 N4 2.114(6) 3_756
Rh2 C34 2.126(11) .
Rh2 O4 2.130(6) .
Rh2 C32 2.131(10) .
Rh2 C31 2.134(8) .
Rh2 O5 2.135(5) .
Rh2 C33 2.135(10) .
Cu1 N2 1.919(6) .
Cu1 N1 1.941(6) .
Cu1 O6 1.970(5) .
Cu1 O3 1.995(6) .
Cu1 O7' 2.336(18) .
Cu1 O7 2.56(2) .
S1 O10 1.346(16) .
S1 O9 1.37(2) .
S1 O8 1.395(12) .
S1 C41 1.763(18) .
N1 C2 1.296(10) .
N1 C3 1.398(10) .
N2 C9 1.291(10) .
N2 C8 1.423(9) .
N3 C11 1.356(11) .
N3 C15 1.358(13) .
N4 C16 1.319(11) .
N4 C20 1.332(11) .
N4 Rh2 2.114(6) 3_756
O1 C1 1.256(9) .
O2 C2 1.245(10) .
O3 C1 1.255(10) .
O4 C10 1.222(9) .
O5 C9 1.250(9) .
O6 C10 1.251(9) .
F1 C41 1.33(2) .
F2 C41 1.28(2) .
F3 C41 1.283(18) .
C1 C2 1.546(11) .
C3 C8 1.412(11) .
C3 C4 1.423(10) .
C4 C5 1.361(12) .
C5 C6 1.346(13) .
C6 C7 1.384(12) .
C7 C8 1.386(11) .
C9 C10 1.580(10) .
C11 C12 1.317(13) .
C12 C13 1.414(12) .
C13 C14 1.418(12) .
C13 C18 1.469(11) .
C14 C15 1.336(13) .
C16 C17 1.384(13) .
C17 C18 1.377(12) .
C18 C19 1.371(12) .
C19 C20 1.382(12) .
C21 C25 1.419(3) .
C21 C22 1.419(3) .
C21 C26 1.508(3) .
C22 C23 1.419(3) .
C22 C27 1.508(3) .
C23 C24 1.419(3) .
C23 C28 1.508(3) .
C24 C25 1.419(3) .
C24 C29 1.508(3) .
C25 C30 1.508(3) .
C31 C35 1.389(16) .
C31 C32 1.393(16) .
C31 C36 1.517(14) .
C32 C33 1.456(19) .
C32 C37 1.515(19) .
C33 C34 1.39(2) .
C33 C38 1.51(2) .
C34 C35 1.349(19) .
C34 C39 1.52(2) .
C35 C40 1.43(2) .
C42 O7 1.491(18) .
C42' O7' 1.408(17) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.000 1.000 586.0 106.2
2 0.500 0.500 0.500 586.0 106.6
