#------------------------------------------------------------------------------
#$Date: 2019-11-17 06:21:48 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228387 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/10/7121011.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_7121011
loop_
_publ_author_name
'Zhang, Hai-Ning'
'Gao, Wen-Xi'
'Deng, Yu-Xin'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Stacking-interaction-induced host-guest chemistry and Borromean rings
 based on a polypyridyl ligand.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1559
_journal_page_last               1562
_journal_paper_doi               10.1039/c7cc09448e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C148 H208 F24 N24 O52 Rh4 S8'
_chemical_formula_weight         4279.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-21 deposited with the CCDC.
2017-12-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.321(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.482(3)
_cell_length_b                   12.4683(16)
_cell_length_c                   38.691(5)
_cell_measurement_reflns_used    6999
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.87
_cell_measurement_theta_min      2.39
_cell_volume                     10162(2)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1127
_diffrn_reflns_av_unetI/netI     0.1288
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            70233
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         1.009
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_T_max  0.801
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_description       block
_exptl_crystal_F_000             4408
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         2.706
_refine_diff_density_min         -7.080
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         22096
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1750
_refine_ls_R_factor_gt           0.1172
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1733P)²+132.1461P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3289
_refine_ls_wR_factor_ref         0.3703
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11950
_reflns_number_total             22096
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc09448e2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7121010--7121014.cif.'
_cod_original_cell_volume        10161(2)
_cod_database_code               7121011
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.906
_shelx_estimated_absorpt_t_max   0.942
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Rh1 Rh -0.15621(3) 0.94835(6) 0.19250(2) 0.0216(2) Uani 1 1 d . .
Rh2 Rh 0.42551(3) 0.95005(7) 0.15297(2) 0.0263(2) Uani 1 1 d . .
N1 N -0.0824(3) 0.8418(6) 0.18556(19) 0.0176(15) Uani 1 1 d . .
N2 N -0.0828(4) 1.0538(7) 0.1858(2) 0.0316(18) Uani 1 1 d . .
N3 N 0.1318(4) 1.0635(7) 0.1668(2) 0.035(2) Uani 1 1 d . .
N4 N 0.1312(3) 0.8389(6) 0.1663(2) 0.0260(18) Uani 1 1 d . .
N5 N 0.3502(4) 1.0550(8) 0.1575(2) 0.035(2) Uani 1 1 d . .
N6 N 0.3499(3) 0.8423(6) 0.1562(2) 0.0214(16) Uani 1 1 d . .
N7 N -0.1874(3) 0.9497(8) 0.1373(2) 0.0298(18) Uani 1 1 d . .
N8 N -0.3891(4) 1.0427(7) -0.0982(2) 0.0317(19) Uani 1 1 d . .
O1 O 0.6483(4) 1.0409(6) 0.2558(2) 0.050(2) Uani 1 1 d . .
O2 O 0.6469(4) 0.8492(6) 0.2553(2) 0.0414(19) Uani 1 1 d . .
O3 O 0.5826(4) 0.9487(7) 0.2901(2) 0.049(2) Uani 1 1 d . .
O4 O 0.0127(4) 0.9519(9) 0.2554(3) 0.066(3) Uani 1 1 d . .
O5 O 0.0626(6) 0.8529(8) 0.3070(3) 0.079(3) Uani 1 1 d . .
O6 O 0.0610(6) 1.0437(9) 0.3089(3) 0.092(4) Uani 1 1 d . .
S1 S 0.63824(11) 0.9474(2) 0.27362(7) 0.0322(6) Uani 1 1 d . .
S2 S 0.05967(14) 0.9510(3) 0.28706(9) 0.0471(7) Uani 1 1 d . .
F1 F 0.6991(4) 0.8579(6) 0.33166(18) 0.0553(19) Uani 1 1 d . .
F2 F 0.7598(3) 0.9424(8) 0.3020(2) 0.074(2) Uani 1 1 d . .
F3 F 0.7007(4) 1.0296(5) 0.3315(2) 0.0566(19) Uani 1 1 d . .
F4 F 0.1831(4) 0.9536(8) 0.2968(2) 0.079(3) Uani 1 1 d . .
F5 F 0.1372(5) 0.8742(12) 0.2511(3) 0.124(5) Uani 1 1 d . .
F6 F 0.1357(5) 1.0420(12) 0.2516(3) 0.130(5) Uani 1 1 d . .
C1 C -0.0822(5) 0.7350(7) 0.1863(3) 0.032(2) Uani 1 1 d . .
H1 H -0.1193 0.6991 0.1900 0.038 Uiso 1 1 calc R U
C2 C -0.0321(4) 0.6754(7) 0.1820(3) 0.029(2) Uani 1 1 d . .
H2 H -0.0345 0.5995 0.1835 0.035 Uiso 1 1 calc R U
C3 C 0.0214(5) 0.7211(8) 0.1757(3) 0.031(2) Uani 1 1 d . .
H3 H 0.0565 0.6794 0.1720 0.037 Uiso 1 1 calc R U
C4 C 0.0226(4) 0.8354(8) 0.1749(2) 0.025(2) Uani 1 1 d . .
C5 C -0.0278(5) 0.8925(7) 0.1795(2) 0.0223(19) Uani 1 1 d . .
C6 C -0.0308(4) 1.0084(7) 0.1798(2) 0.0221(19) Uani 1 1 d . .
C7 C 0.0234(5) 1.0653(7) 0.1751(3) 0.029(2) Uani 1 1 d . .
C8 C 0.0207(5) 1.1771(8) 0.1766(3) 0.036(3) Uani 1 1 d . .
H8 H 0.0562 1.2188 0.1735 0.043 Uiso 1 1 calc R U
C9 C -0.0352(5) 1.2284(9) 0.1829(3) 0.041(3) Uani 1 1 d . .
H9 H -0.0384 1.3042 0.1840 0.049 Uiso 1 1 calc R U
C10 C -0.0846(4) 1.1622(8) 0.1873(3) 0.026(2) Uani 1 1 d . .
H10 H -0.1222 1.1949 0.1916 0.031 Uiso 1 1 calc R U
C11 C 0.0791(4) 1.0048(8) 0.1702(2) 0.0225(19) Uani 1 1 d . .
C12 C 0.0793(4) 0.8915(8) 0.1695(3) 0.030(2) Uani 1 1 d . .
C13 C 0.1825(5) 0.8916(8) 0.1634(3) 0.034(2) Uani 1 1 d . .
C14 C 0.1830(5) 1.0057(8) 0.1629(3) 0.028(2) Uani 1 1 d . .
C15 C 0.3522(4) 1.1650(8) 0.1571(3) 0.032(2) Uani 1 1 d . .
H15 H 0.3911 1.1996 0.1558 0.038 Uiso 1 1 calc R U
C16 C 0.2992(6) 1.2273(9) 0.1584(3) 0.049(3) Uani 1 1 d . .
H16 H 0.3017 1.3033 0.1581 0.059 Uiso 1 1 calc R U
C17 C 0.2436(5) 1.1776(8) 0.1602(3) 0.035(2) Uani 1 1 d . .
H17 H 0.2069 1.2193 0.1610 0.042 Uiso 1 1 calc R U
C18 C 0.2400(5) 1.0668(8) 0.1610(3) 0.032(2) Uani 1 1 d . .
C19 C 0.2950(4) 1.0093(7) 0.1589(2) 0.0224(19) Uani 1 1 d . .
C20 C 0.2927(4) 0.8950(8) 0.1587(3) 0.030(2) Uani 1 1 d . .
C21 C 0.2393(4) 0.8348(8) 0.1600(3) 0.029(2) Uani 1 1 d . .
C22 C 0.2417(5) 0.7226(9) 0.1584(3) 0.041(3) Uani 1 1 d . .
H22 H 0.2050 0.6805 0.1589 0.049 Uiso 1 1 calc R U
C23 C 0.2965(5) 0.6767(8) 0.1561(3) 0.035(3) Uani 1 1 d . .
H23 H 0.2992 0.6007 0.1555 0.042 Uiso 1 1 calc R U
C24 C 0.3507(5) 0.7385(8) 0.1546(3) 0.034(2) Uani 1 1 d . .
H24 H 0.3889 0.7032 0.1524 0.041 Uiso 1 1 calc R U
C25 C -0.2057(7) 1.0459(12) 0.1207(3) 0.057(4) Uani 1 1 d . .
H25 H -0.1947 1.1106 0.1334 0.069 Uiso 1 1 calc R U
C26 C -0.2397(7) 1.0520(13) 0.0861(3) 0.067(4) Uani 1 1 d . .
H26 H -0.2551 1.1187 0.0760 0.080 Uiso 1 1 calc R U
C27 C -0.2507(6) 0.9542(12) 0.0663(3) 0.054(3) Uani 1 1 d . .
C28 C -0.2305(7) 0.8640(11) 0.0835(3) 0.060(4) Uani 1 1 d . .
H28 H -0.2391 0.7978 0.0714 0.072 Uiso 1 1 calc R U
C29 C -0.1973(5) 0.8616(9) 0.1186(3) 0.040(3) Uani 1 1 d . .
H29 H -0.1819 0.7952 0.1288 0.048 Uiso 1 1 calc R U
C30 C -0.2808(7) 0.9535(14) 0.0294(4) 0.064(4) Uani 1 1 d . .
H30 H -0.2805 0.8875 0.0172 0.077 Uiso 1 1 calc R U
C31 C -0.3066(8) 1.0299(12) 0.0124(4) 0.065(4) Uani 1 1 d . .
H31 H -0.3054 1.0956 0.0250 0.078 Uiso 1 1 calc R U
C32 C -0.3779(5) 0.9391(9) -0.0818(3) 0.037(2) Uani 1 1 d . .
H32 H -0.3871 0.8753 -0.0952 0.044 Uiso 1 1 calc R U
C33 C -0.3536(6) 0.9345(9) -0.0459(3) 0.045(3) Uani 1 1 d . .
H33 H -0.3457 0.8672 -0.0344 0.054 Uiso 1 1 calc R U
C34 C -0.3401(6) 1.0339(11) -0.0260(3) 0.052(3) Uani 1 1 d . .
C35 C -0.3536(6) 1.1289(9) -0.0433(3) 0.050(3) Uani 1 1 d . .
H35 H -0.3467 1.1948 -0.0307 0.060 Uiso 1 1 calc R U
C36 C -0.3776(5) 1.1287(7) -0.0796(3) 0.027(2) Uani 1 1 d . .
H36 H -0.3860 1.1958 -0.0912 0.032 Uiso 1 1 calc R U
C37 C -0.2215(5) 1.0365(7) 0.2171(3) 0.0238(19) Uani 1 1 d . .
C38 C -0.2534(4) 0.9495(8) 0.2014(2) 0.0229(18) Uani 1 1 d . .
C39 C -0.2203(4) 0.8503(8) 0.2168(2) 0.0234(19) Uani 1 1 d . .
C40 C -0.1680(4) 0.8884(7) 0.2431(3) 0.0229(19) Uani 1 1 d . .
C41 C -0.1700(4) 1.0033(8) 0.2435(3) 0.026(2) Uani 1 1 d . .
C42 C -0.2437(5) 1.1534(10) 0.2097(3) 0.044(3) Uani 1 1 d . .
H42A H -0.2490 1.1681 0.1844 0.066 Uiso 1 1 calc R U
H42B H -0.2119 1.2024 0.2228 0.066 Uiso 1 1 calc R U
H42C H -0.2843 1.1641 0.2171 0.066 Uiso 1 1 calc R U
C43 C -0.3125(4) 0.9490(9) 0.1742(3) 0.034(2) Uani 1 1 d . .
H43A H -0.3146 1.0144 0.1600 0.052 Uiso 1 1 calc R U
H43B H -0.3493 0.9459 0.1856 0.052 Uiso 1 1 calc R U
H43C H -0.3127 0.8862 0.1589 0.052 Uiso 1 1 calc R U
C44 C -0.2443(4) 0.7443(7) 0.2065(3) 0.025(2) Uani 1 1 d . .
H44A H -0.2511 0.7376 0.1808 0.038 Uiso 1 1 calc R U
H44B H -0.2846 0.7332 0.2142 0.038 Uiso 1 1 calc R U
H44C H -0.2134 0.6904 0.2174 0.038 Uiso 1 1 calc R U
C45 C -0.1228(5) 0.8245(10) 0.2673(3) 0.040(3) Uani 1 1 d . .
H45A H -0.1363 0.8201 0.2901 0.060 Uiso 1 1 calc R U
H45B H -0.0807 0.8581 0.2707 0.060 Uiso 1 1 calc R U
H45C H -0.1207 0.7522 0.2577 0.060 Uiso 1 1 calc R U
C46 C -0.1223(4) 1.0747(7) 0.2680(3) 0.024(2) Uani 1 1 d . .
H46A H -0.1221 1.1465 0.2577 0.036 Uiso 1 1 calc R U
H46B H -0.0797 1.0433 0.2709 0.036 Uiso 1 1 calc R U
H46C H -0.1345 1.0799 0.2911 0.036 Uiso 1 1 calc R U
C47 C 0.5234(4) 0.9496(10) 0.1459(3) 0.035(2) Uani 1 1 d . .
C48 C 0.5126(5) 1.0378(8) 0.1658(3) 0.033(2) Uani 1 1 d . .
C49 C 0.4937(5) 1.0043(10) 0.1986(3) 0.038(3) Uani 1 1 d . .
C50 C 0.4933(5) 0.8898(8) 0.1975(3) 0.031(2) Uani 1 1 d . .
C51 C 0.5113(5) 0.8522(9) 0.1648(3) 0.036(2) Uani 1 1 d . .
C52 C 0.5442(5) 0.9537(11) 0.1115(3) 0.049(3) Uani 1 1 d . .
H52A H 0.5079 0.9390 0.0924 0.073 Uiso 1 1 calc R U
H52B H 0.5773 0.8998 0.1112 0.073 Uiso 1 1 calc R U
H52C H 0.5611 1.0252 0.1082 0.073 Uiso 1 1 calc R U
C53 C 0.5242(7) 1.1575(11) 0.1572(4) 0.057(4) Uani 1 1 d . .
H53A H 0.5699 1.1707 0.1602 0.086 Uiso 1 1 calc R U
H53B H 0.5062 1.2041 0.1731 0.086 Uiso 1 1 calc R U
H53C H 0.5037 1.1729 0.1327 0.086 Uiso 1 1 calc R U
C54 C 0.4789(6) 1.0777(9) 0.2264(3) 0.046(3) Uani 1 1 d . .
H54A H 0.4579 1.1424 0.2153 0.069 Uiso 1 1 calc R U
H54B H 0.5184 1.0978 0.2424 0.069 Uiso 1 1 calc R U
H54C H 0.4507 1.0412 0.2397 0.069 Uiso 1 1 calc R U
C55 C 0.4797(6) 0.8197(11) 0.2259(3) 0.050(3) Uani 1 1 d . .
H55A H 0.5197 0.7991 0.2415 0.074 Uiso 1 1 calc R U
H55B H 0.4574 0.7552 0.2156 0.074 Uiso 1 1 calc R U
H55C H 0.4530 0.8584 0.2396 0.074 Uiso 1 1 calc R U
C56 C 0.5231(5) 0.7437(8) 0.1543(3) 0.037(3) Uani 1 1 d . .
H56A H 0.5686 0.7277 0.1611 0.056 Uiso 1 1 calc R U
H56B H 0.5099 0.7370 0.1286 0.056 Uiso 1 1 calc R U
H56C H 0.4990 0.6931 0.1659 0.056 Uiso 1 1 calc R U
C57 C 0.7029(6) 0.9461(9) 0.3113(3) 0.041(3) Uani 1 1 d . .
C58 C 0.1319(7) 0.9571(16) 0.2711(4) 0.066(4) Uani 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 0.0033 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
_geom_angle_site_symmetry_3
N2 Rh1 N7 88.1(3) . .
N2 Rh1 N1 77.3(3) . .
N7 Rh1 N1 88.5(3) . .
N2 Rh1 C37 107.7(3) . .
N7 Rh1 C37 109.9(3) . .
N1 Rh1 C37 160.9(3) . .
N2 Rh1 C40 123.5(3) . .
N7 Rh1 C40 148.4(3) . .
N1 Rh1 C40 97.0(3) . .
C37 Rh1 C40 64.7(3) . .
N2 Rh1 C41 98.8(3) . .
N7 Rh1 C41 148.0(3) . .
N1 Rh1 C41 123.5(3) . .
C37 Rh1 C41 38.3(3) . .
C40 Rh1 C41 38.8(3) . .
N2 Rh1 C38 141.0(4) . .
N7 Rh1 C38 92.1(3) . .
N1 Rh1 C38 141.7(3) . .
C37 Rh1 C38 36.7(3) . .
C40 Rh1 C38 64.7(3) . .
C41 Rh1 C38 63.1(3) . .
N2 Rh1 C39 161.9(3) . .
N7 Rh1 C39 109.8(3) . .
N1 Rh1 C39 104.7(3) . .
C37 Rh1 C39 64.8(3) . .
C40 Rh1 C39 38.7(3) . .
C41 Rh1 C39 64.8(4) . .
C38 Rh1 C39 40.0(3) . .
N8 Rh2 N5 85.3(3) 3_575 .
N8 Rh2 N6 87.0(3) 3_575 .
N5 Rh2 N6 77.3(3) . .
N8 Rh2 C48 110.2(4) 3_575 .
N5 Rh2 C48 108.2(4) . .
N6 Rh2 C48 162.0(4) . .
N8 Rh2 C50 150.9(4) 3_575 .
N5 Rh2 C50 123.8(4) . .
N6 Rh2 C50 97.9(4) . .
C48 Rh2 C50 64.6(4) . .
N8 Rh2 C49 149.5(4) 3_575 .
N5 Rh2 C49 98.3(4) . .
N6 Rh2 C49 123.3(4) . .
C48 Rh2 C49 39.8(4) . .
C50 Rh2 C49 38.5(4) . .
N8 Rh2 C47 93.0(4) 3_575 .
N5 Rh2 C47 141.9(4) . .
N6 Rh2 C47 140.7(4) . .
C48 Rh2 C47 37.5(4) . .
C50 Rh2 C47 65.2(4) . .
C49 Rh2 C47 65.7(4) . .
N8 Rh2 C51 111.5(4) 3_575 .
N5 Rh2 C51 163.1(4) . .
N6 Rh2 C51 104.9(4) . .
C48 Rh2 C51 64.7(4) . .
C50 Rh2 C51 39.5(4) . .
C49 Rh2 C51 66.2(4) . .
C47 Rh2 C51 39.4(4) . .
C1 N1 C5 117.3(8) . .
C1 N1 Rh1 128.4(6) . .
C5 N1 Rh1 114.3(6) . .
C6 N2 C10 118.0(8) . .
C6 N2 Rh1 115.8(7) . .
C10 N2 Rh1 126.2(7) . .
C14 N3 C11 115.5(9) . .
C13 N4 C12 120.0(9) . .
C19 N5 C15 117.4(9) . .
C19 N5 Rh2 116.3(7) . .
C15 N5 Rh2 126.2(6) . .
C24 N6 C20 119.0(8) . .
C24 N6 Rh2 127.6(7) . .
C20 N6 Rh2 113.3(6) . .
C29 N7 C25 118.0(9) . .
C29 N7 Rh1 122.6(7) . .
C25 N7 Rh1 118.9(8) . .
C36 N8 C32 120.2(9) . .
C36 N8 Rh2 121.2(7) . 3_575
C32 N8 Rh2 118.6(7) . 3_575
O1 S1 O2 114.7(5) . .
O1 S1 O3 115.3(5) . .
O2 S1 O3 114.7(5) . .
O1 S1 C57 103.8(6) . .
O2 S1 C57 103.6(5) . .
O3 S1 C57 102.4(5) . .
O4 S2 O6 115.4(7) . .
O4 S2 O5 114.6(7) . .
O6 S2 O5 112.1(8) . .
O4 S2 C58 102.7(6) . .
O6 S2 C58 104.6(8) . .
O5 S2 C58 105.9(8) . .
N1 C1 C2 123.4(9) . .
C1 C2 C3 121.3(9) . .
C2 C3 C4 116.6(9) . .
C5 C4 C3 120.7(9) . .
C5 C4 C12 119.1(9) . .
C3 C4 C12 120.2(9) . .
C4 C5 N1 120.8(8) . .
C4 C5 C6 124.9(9) . .
N1 C5 C6 114.3(8) . .
N2 C6 C7 124.1(9) . .
N2 C6 C5 118.2(9) . .
C7 C6 C5 117.7(9) . .
C8 C7 C6 117.1(9) . .
C8 C7 C11 124.3(9) . .
C6 C7 C11 118.5(8) . .
C7 C8 C9 120.0(10) . .
C10 C9 C8 116.5(10) . .
N2 C10 C9 124.3(9) . .
N3 C11 C12 121.6(8) . .
N3 C11 C7 116.7(8) . .
C12 C11 C7 121.7(9) . .
N4 C12 C11 120.4(9) . .
N4 C12 C4 121.4(9) . .
C11 C12 C4 118.1(9) . .
N4 C13 C14 120.8(10) . .
N4 C13 C21 120.4(9) . .
C14 C13 C21 118.8(9) . .
N3 C14 C13 121.7(10) . .
N3 C14 C18 116.0(9) . .
C13 C14 C18 122.1(9) . .
N5 C15 C16 122.0(9) . .
C17 C16 C15 118.9(10) . .
C16 C17 C18 120.7(10) . .
C17 C18 C19 117.4(9) . .
C17 C18 C14 125.1(10) . .
C19 C18 C14 117.6(9) . .
N5 C19 C18 123.6(9) . .
N5 C19 C20 117.4(9) . .
C18 C19 C20 119.0(9) . .
C21 C20 N6 119.4(9) . .
C21 C20 C19 124.9(9) . .
N6 C20 C19 115.7(8) . .
C20 C21 C22 120.3(9) . .
C20 C21 C13 117.5(9) . .
C22 C21 C13 122.2(9) . .
C23 C22 C21 118.3(10) . .
C22 C23 C24 121.2(10) . .
N6 C24 C23 121.8(9) . .
N7 C25 C26 122.8(13) . .
C25 C26 C27 117.8(13) . .
C28 C27 C26 116.4(12) . .
C28 C27 C30 121.8(14) . .
C26 C27 C30 121.8(13) . .
C27 C28 C29 123.7(12) . .
N7 C29 C28 120.9(11) . .
C31 C30 C27 126.3(15) . .
C30 C31 C34 128.9(14) . .
C33 C32 N8 118.5(10) . .
C32 C33 C34 119.4(11) . .
C35 C34 C33 118.7(11) . .
C35 C34 C31 121.4(12) . .
C33 C34 C31 119.7(11) . .
C34 C35 C36 119.4(10) . .
N8 C36 C35 123.8(9) . .
C38 C37 C41 110.1(8) . .
C38 C37 C42 124.0(9) . .
C41 C37 C42 125.5(9) . .
C38 C37 Rh1 73.1(5) . .
C41 C37 Rh1 71.6(5) . .
C42 C37 Rh1 127.3(7) . .
C37 C38 C43 127.4(9) . .
C37 C38 C39 108.8(8) . .
C43 C38 C39 123.7(9) . .
C37 C38 Rh1 70.2(5) . .
C43 C38 Rh1 127.0(7) . .
C39 C38 Rh1 70.3(4) . .
C40 C39 C44 133.1(9) . .
C40 C39 C38 104.7(8) . .
C44 C39 C38 122.0(8) . .
C40 C39 Rh1 69.4(5) . .
C44 C39 Rh1 127.7(7) . .
C38 C39 Rh1 69.8(5) . .
C41 C40 C39 108.5(8) . .
C41 C40 C45 124.0(9) . .
C39 C40 C45 127.4(9) . .
C41 C40 Rh1 70.9(6) . .
C39 C40 Rh1 71.9(5) . .
C45 C40 Rh1 126.6(7) . .
C37 C41 C40 107.8(8) . .
C37 C41 C46 127.6(9) . .
C40 C41 C46 124.6(9) . .
C37 C41 Rh1 70.1(5) . .
C40 C41 Rh1 70.3(6) . .
C46 C41 Rh1 123.5(6) . .
C48 C47 C51 108.3(9) . .
C48 C47 C52 125.6(11) . .
C51 C47 C52 126.2(11) . .
C48 C47 Rh2 69.9(6) . .
C51 C47 Rh2 70.7(5) . .
C52 C47 Rh2 125.5(7) . .
C47 C48 C49 111.1(9) . .
C47 C48 C53 126.0(11) . .
C49 C48 C53 122.7(10) . .
C47 C48 Rh2 72.6(6) . .
C49 C48 Rh2 71.2(6) . .
C53 C48 Rh2 127.5(8) . .
C50 C49 C48 104.9(9) . .
C50 C49 C54 129.4(11) . .
C48 C49 C54 125.6(11) . .
C50 C49 Rh2 70.4(6) . .
C48 C49 Rh2 69.0(6) . .
C54 C49 Rh2 124.9(8) . .
C49 C50 C51 110.2(10) . .
C49 C50 C55 124.6(10) . .
C51 C50 C55 125.2(10) . .
C49 C50 Rh2 71.1(6) . .
C51 C50 Rh2 71.1(6) . .
C55 C50 Rh2 126.7(8) . .
C56 C51 C47 125.0(10) . .
C56 C51 C50 129.1(10) . .
C47 C51 C50 105.5(10) . .
C56 C51 Rh2 130.5(7) . .
C47 C51 Rh2 70.0(6) . .
C50 C51 Rh2 69.4(6) . .
F3 C57 F2 109.2(10) . .
F3 C57 F1 106.5(9) . .
F2 C57 F1 106.7(10) . .
F3 C57 S1 111.3(9) . .
F2 C57 S1 112.5(8) . .
F1 C57 S1 110.5(8) . .
F5 C58 F6 105.9(14) . .
F5 C58 F4 105.0(14) . .
F6 C58 F4 108.7(14) . .
F5 C58 S2 110.7(12) . .
F6 C58 S2 113.1(13) . .
F4 C58 S2 112.8(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 N2 2.108(9) .
Rh1 N7 2.108(8) .
Rh1 N1 2.126(7) .
Rh1 C37 2.145(9) .
Rh1 C40 2.155(10) .
Rh1 C41 2.164(9) .
Rh1 C38 2.180(8) .
Rh1 C39 2.187(9) .
Rh2 N8 2.111(8) 3_575
Rh2 N5 2.115(9) .
Rh2 N6 2.129(7) .
Rh2 C48 2.139(10) .
Rh2 C50 2.160(10) .
Rh2 C49 2.169(11) .
Rh2 C47 2.173(9) .
Rh2 C51 2.183(11) .
N1 C1 1.333(11) .
N1 C5 1.391(11) .
N2 C6 1.314(12) .
N2 C10 1.353(13) .
N3 C14 1.347(12) .
N3 C11 1.377(12) .
N4 C13 1.307(12) .
N4 C12 1.318(12) .
N5 C19 1.326(12) .
N5 C15 1.373(13) .
N6 C24 1.296(12) .
N6 C20 1.415(12) .
N7 C29 1.311(14) .
N7 C25 1.380(16) .
N8 C36 1.288(12) .
N8 C32 1.440(13) .
N8 Rh2 2.111(8) 3_575
O1 S1 1.393(8) .
O2 S1 1.445(7) .
O3 S1 1.460(8) .
O4 S2 1.426(10) .
O5 S2 1.441(10) .
O6 S2 1.428(11) .
S1 C57 1.805(12) .
S2 C58 1.781(15) .
F1 C57 1.364(13) .
F2 C57 1.340(13) .
F3 C57 1.307(13) .
F4 C58 1.331(16) .
F5 C58 1.309(19) .
F6 C58 1.312(19) .
C1 C2 1.343(13) .
C2 C3 1.348(13) .
C3 C4 1.425(13) .
C4 C5 1.337(13) .
C4 C12 1.456(12) .
C5 C6 1.447(12) .
C6 C7 1.405(13) .
C7 C8 1.396(13) .
C7 C11 1.458(13) .
C8 C9 1.422(15) .
C9 C10 1.380(15) .
C11 C12 1.413(13) .
C13 C14 1.424(14) .
C13 C21 1.440(14) .
C14 C18 1.457(14) .
C15 C16 1.388(16) .
C16 C17 1.358(15) .
C17 C18 1.384(14) .
C18 C19 1.398(14) .
C19 C20 1.426(13) .
C20 C21 1.378(13) .
C21 C22 1.402(15) .
C22 C23 1.327(14) .
C23 C24 1.407(13) .
C25 C26 1.397(17) .
C26 C27 1.43(2) .
C27 C28 1.336(18) .
C27 C30 1.446(17) .
C28 C29 1.402(16) .
C30 C31 1.23(2) .
C31 C34 1.521(18) .
C32 C33 1.384(16) .
C33 C34 1.458(17) .
C34 C35 1.363(17) .
C35 C36 1.399(15) .
C37 C38 1.360(13) .
C37 C41 1.412(13) .
C37 C42 1.544(14) .
C38 C43 1.482(12) .
C38 C39 1.492(13) .
C39 C40 1.439(13) .
C39 C44 1.446(13) .
C40 C41 1.434(12) .
C40 C45 1.450(14) .
C41 C46 1.537(13) .
C47 C48 1.387(16) .
C47 C51 1.467(15) .
C47 C52 1.485(15) .
C48 C49 1.468(16) .
C48 C53 1.561(16) .
C49 C50 1.428(15) .
C49 C54 1.493(16) .
C50 C51 1.467(15) .
C50 C55 1.480(15) .
C51 C56 1.450(15) .
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
C5 N1 C1 C2 1.2(15) .
Rh1 N1 C1 C2 -179.0(8) .
N1 C1 C2 C3 -1.9(18) .
C1 C2 C3 C4 1.8(17) .
C2 C3 C4 C5 -1.3(15) .
C2 C3 C4 C12 177.8(10) .
C3 C4 C5 N1 0.7(15) .
C12 C4 C5 N1 -178.4(9) .
C3 C4 C5 C6 178.7(9) .
C12 C4 C5 C6 -0.5(15) .
C1 N1 C5 C4 -0.6(13) .
Rh1 N1 C5 C4 179.5(7) .
C1 N1 C5 C6 -178.8(9) .
Rh1 N1 C5 C6 1.4(10) .
C10 N2 C6 C7 0.6(15) .
Rh1 N2 C6 C7 -179.3(8) .
C10 N2 C6 C5 177.8(9) .
Rh1 N2 C6 C5 -2.1(12) .
C4 C5 C6 N2 -177.6(9) .
N1 C5 C6 N2 0.4(13) .
C4 C5 C6 C7 -0.2(15) .
N1 C5 C6 C7 177.9(8) .
N2 C6 C7 C8 -0.6(15) .
C5 C6 C7 C8 -177.9(9) .
N2 C6 C7 C11 177.2(9) .
C5 C6 C7 C11 -0.1(14) .
C6 C7 C8 C9 0.1(16) .
C11 C7 C8 C9 -177.5(10) .
C7 C8 C9 C10 0.3(17) .
C6 N2 C10 C9 -0.1(15) .
Rh1 N2 C10 C9 179.8(8) .
C8 C9 C10 N2 -0.3(17) .
C14 N3 C11 C12 0.0(14) .
C14 N3 C11 C7 178.9(9) .
C8 C7 C11 N3 -0.2(15) .
C6 C7 C11 N3 -177.8(9) .
C8 C7 C11 C12 178.7(11) .
C6 C7 C11 C12 1.1(15) .
C13 N4 C12 C11 -0.8(16) .
C13 N4 C12 C4 -176.3(10) .
N3 C11 C12 N4 1.4(16) .
C7 C11 C12 N4 -177.5(9) .
N3 C11 C12 C4 177.1(9) .
C7 C11 C12 C4 -1.8(16) .
C5 C4 C12 N4 177.1(10) .
C3 C4 C12 N4 -2.1(16) .
C5 C4 C12 C11 1.4(15) .
C3 C4 C12 C11 -177.7(10) .
C12 N4 C13 C14 -1.2(16) .
C12 N4 C13 C21 180.0(10) .
C11 N3 C14 C13 -2.0(15) .
C11 N3 C14 C18 -177.4(9) .
N4 C13 C14 N3 2.7(17) .
C21 C13 C14 N3 -178.5(10) .
N4 C13 C14 C18 177.8(10) .
C21 C13 C14 C18 -3.3(17) .
C19 N5 C15 C16 0.7(16) .
Rh2 N5 C15 C16 176.6(9) .
N5 C15 C16 C17 0.0(18) .
C15 C16 C17 C18 0.5(19) .
C16 C17 C18 C19 -1.5(17) .
C16 C17 C18 C14 179.9(11) .
N3 C14 C18 C17 -4.9(16) .
C13 C14 C18 C17 179.7(11) .
N3 C14 C18 C19 176.5(9) .
C13 C14 C18 C19 1.1(16) .
C15 N5 C19 C18 -1.9(15) .
Rh2 N5 C19 C18 -178.2(8) .
C15 N5 C19 C20 178.9(9) .
Rh2 N5 C19 C20 2.5(12) .
C17 C18 C19 N5 2.3(16) .
C14 C18 C19 N5 -179.0(9) .
C17 C18 C19 C20 -178.5(10) .
C14 C18 C19 C20 0.3(15) .
C24 N6 C20 C21 0.9(15) .
Rh2 N6 C20 C21 178.2(8) .
C24 N6 C20 C19 -177.7(10) .
Rh2 N6 C20 C19 -0.4(11) .
N5 C19 C20 C21 -179.9(10) .
C18 C19 C20 C21 0.8(17) .
N5 C19 C20 N6 -1.4(14) .
C18 C19 C20 N6 179.3(9) .
N6 C20 C21 C22 -0.7(16) .
C19 C20 C21 C22 177.7(11) .
N6 C20 C21 C13 178.5(9) .
C19 C20 C21 C13 -3.1(17) .
N4 C13 C21 C20 -177.0(10) .
C14 C13 C21 C20 4.2(16) .
N4 C13 C21 C22 2.2(17) .
C14 C13 C21 C22 -176.6(11) .
C20 C21 C22 C23 1.0(17) .
C13 C21 C22 C23 -178.2(11) .
C21 C22 C23 C24 -1.4(18) .
C20 N6 C24 C23 -1.4(16) .
Rh2 N6 C24 C23 -178.2(8) .
C22 C23 C24 N6 1.6(19) .
C29 N7 C25 C26 6.5(19) .
Rh1 N7 C25 C26 -165.4(11) .
N7 C25 C26 C27 -6(2) .
C25 C26 C27 C28 4(2) .
C25 C26 C27 C30 -174.7(14) .
C26 C27 C28 C29 -3(2) .
C30 C27 C28 C29 175.5(14) .
C25 N7 C29 C28 -5.4(17) .
Rh1 N7 C29 C28 166.2(10) .
C27 C28 C29 N7 4(2) .
C28 C27 C30 C31 171.9(18) .
C26 C27 C30 C31 -9(3) .
C27 C30 C31 C34 -178.5(14) .
C36 N8 C32 C33 -1.3(15) .
Rh2 N8 C32 C33 179.5(8) 3_575
N8 C32 C33 C34 0.1(17) .
C32 C33 C34 C35 2(2) .
C32 C33 C34 C31 -173.1(12) .
C30 C31 C34 C35 -164.7(18) .
C30 C31 C34 C33 10(3) .
C33 C34 C35 C36 -2(2) .
C31 C34 C35 C36 172.4(12) .
C32 N8 C36 C35 0.8(16) .
Rh2 N8 C36 C35 179.9(9) 3_575
C34 C35 C36 N8 1.1(19) .
C41 C37 C38 C43 175.6(9) .
C42 C37 C38 C43 2.0(15) .
Rh1 C37 C38 C43 -122.0(10) .
C41 C37 C38 C39 -2.5(10) .
C42 C37 C38 C39 -176.1(9) .
Rh1 C37 C38 C39 59.9(6) .
C41 C37 C38 Rh1 -62.4(7) .
C42 C37 C38 Rh1 124.0(10) .
C37 C38 C39 C40 1.2(10) .
C43 C38 C39 C40 -176.9(8) .
Rh1 C38 C39 C40 61.1(6) .
C37 C38 C39 C44 177.5(9) .
C43 C38 C39 C44 -0.7(13) .
Rh1 C38 C39 C44 -122.6(8) .
C37 C38 C39 Rh1 -59.9(6) .
C43 C38 C39 Rh1 122.0(9) .
C44 C39 C40 C41 -175.2(9) .
C38 C39 C40 C41 0.5(10) .
Rh1 C39 C40 C41 61.8(7) .
C44 C39 C40 C45 0.4(17) .
C38 C39 C40 C45 176.1(9) .
Rh1 C39 C40 C45 -122.6(10) .
C44 C39 C40 Rh1 123.0(10) .
C38 C39 C40 Rh1 -61.3(5) .
C38 C37 C41 C40 2.8(11) .
C42 C37 C41 C40 176.3(9) .
Rh1 C37 C41 C40 -60.5(7) .
C38 C37 C41 C46 -179.1(9) .
C42 C37 C41 C46 -5.6(16) .
Rh1 C37 C41 C46 117.6(10) .
C38 C37 C41 Rh1 63.4(7) .
C42 C37 C41 Rh1 -123.2(10) .
C39 C40 C41 C37 -2.0(11) .
C45 C40 C41 C37 -177.8(9) .
Rh1 C40 C41 C37 60.4(7) .
C39 C40 C41 C46 179.8(8) .
C45 C40 C41 C46 4.1(16) .
Rh1 C40 C41 C46 -117.7(9) .
C39 C40 C41 Rh1 -62.4(6) .
C45 C40 C41 Rh1 121.8(10) .
C51 C47 C48 C49 0.6(11) .
C52 C47 C48 C49 -179.0(10) .
Rh2 C47 C48 C49 61.1(7) .
C51 C47 C48 C53 175.4(10) .
C52 C47 C48 C53 -4.2(17) .
Rh2 C47 C48 C53 -124.1(11) .
C51 C47 C48 Rh2 -60.5(7) .
C52 C47 C48 Rh2 119.9(10) .
C47 C48 C49 C50 -0.3(12) .
C53 C48 C49 C50 -175.3(10) .
Rh2 C48 C49 C50 61.7(8) .
C47 C48 C49 C54 179.4(11) .
C53 C48 C49 C54 4.4(17) .
Rh2 C48 C49 C54 -118.7(12) .
C47 C48 C49 Rh2 -62.0(7) .
C53 C48 C49 Rh2 123.1(10) .
C48 C49 C50 C51 -0.1(12) .
C54 C49 C50 C51 -179.8(11) .
Rh2 C49 C50 C51 60.6(7) .
C48 C49 C50 C55 177.2(10) .
C54 C49 C50 C55 -2(2) .
Rh2 C49 C50 C55 -122.1(11) .
C48 C49 C50 Rh2 -60.7(7) .
C54 C49 C50 Rh2 119.6(13) .
C48 C47 C51 C56 -173.9(10) .
C52 C47 C51 C56 5.6(16) .
Rh2 C47 C51 C56 126.0(10) .
C48 C47 C51 C50 -0.6(11) .
C52 C47 C51 C50 178.9(10) .
Rh2 C47 C51 C50 -60.7(7) .
C48 C47 C51 Rh2 60.0(7) .
C52 C47 C51 Rh2 -120.4(10) .
C49 C50 C51 C56 173.4(10) .
C55 C50 C51 C56 -3.9(18) .
Rh2 C50 C51 C56 -126.0(11) .
C49 C50 C51 C47 0.4(12) .
C55 C50 C51 C47 -176.8(10) .
Rh2 C50 C51 C47 61.0(7) .
C49 C50 C51 Rh2 -60.6(8) .
C55 C50 C51 Rh2 122.1(11) .
O1 S1 C57 F3 61.7(9) .
O2 S1 C57 F3 -178.2(8) .
O3 S1 C57 F3 -58.6(9) .
O1 S1 C57 F2 -61.2(10) .
O2 S1 C57 F2 59.0(10) .
O3 S1 C57 F2 178.6(9) .
O1 S1 C57 F1 179.7(8) .
O2 S1 C57 F1 -60.1(9) .
O3 S1 C57 F1 59.5(9) .
O4 S2 C58 F5 -60.5(13) .
O6 S2 C58 F5 178.6(12) .
O5 S2 C58 F5 60.0(13) .
O4 S2 C58 F6 58.2(14) .
O6 S2 C58 F6 -62.7(14) .
O5 S2 C58 F6 178.7(12) .
O4 S2 C58 F4 -177.9(12) .
O6 S2 C58 F4 61.2(15) .
O5 S2 C58 F4 -57.4(15) .
