#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:41:08 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229397 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/53/7045372.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_7045372
loop_
_publ_author_name
'Shan, Wei-Long'
'Gao, Wen-Xi'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Light-initiated reversible conversion of macrocyclic endoperoxides
 derived from half-sandwich rhodium-based metallarectangles.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2769
_journal_page_last               2777
_journal_paper_doi               10.1039/c7dt03962j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C150 H157 F12 N19 O14 Rh4 S4'
_chemical_formula_weight         3217.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-09-20 deposited with the CCDC.
2018-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                95.573(2)
_cell_angle_beta                 90.823(2)
_cell_angle_gamma                104.286(2)
_cell_formula_units_Z            2
_cell_length_a                   13.3420(15)
_cell_length_b                   22.628(3)
_cell_length_c                   25.834(3)
_cell_measurement_reflns_used    8078
_cell_measurement_temperature    202(2)
_cell_measurement_theta_max      24.83
_cell_measurement_theta_min      2.19
_cell_volume                     7516.5(16)
_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      202(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0568
_diffrn_reflns_av_unetI/netI     0.1405
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            43484
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.249
_diffrn_reflns_theta_min         0.793
_exptl_absorpt_coefficient_mu    0.568
_exptl_absorpt_correction_T_max  0.684
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       block
_exptl_crystal_F_000             3308
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.210
_platon_squeeze_details
; 
 In asymmetric unit of this data, there were disordered 
 solvents (five acetonitrile molecules) which could not be 
 restrained properly. Therefore, SQUEEZE algorithm was used 
 to omit them. 
;
_refine_diff_density_max         2.043
_refine_diff_density_min         -2.070
_refine_diff_density_rms         0.245
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1717
_refine_ls_number_reflns         26819
_refine_ls_number_restraints     210
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.1572
_refine_ls_R_factor_gt           0.0971
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1994P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2623
_refine_ls_wR_factor_ref         0.3192
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13376
_reflns_number_total             26819
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03962j2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7045371--7045376.cif.'
_cod_original_cell_volume        7516.5(15)
_cod_database_code               7045372
_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   0.876
_shelx_estimated_absorpt_t_max   0.890
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.74661(6) 0.09793(3) 0.88252(3) 0.0320(2) Uani 1 1 d . .
Rh2 Rh 0.86089(6) 0.26009(4) 0.73008(3) 0.0313(2) Uani 1 1 d . .
Rh3 Rh 0.43166(6) 0.10070(3) 0.37736(3) 0.0321(2) Uani 1 1 d . .
Rh4 Rh 0.43652(7) 0.25582(4) 0.22110(3) 0.0362(2) Uani 1 1 d . .
N1 N 0.6824(6) 0.1229(3) 0.8123(3) 0.0289(18) Uani 1 1 d . .
N2 N 0.8822(6) 0.1611(4) 0.8568(3) 0.0299(18) Uani 1 1 d D .
N3 N 0.9250(6) 0.2280(3) 0.7958(3) 0.0273(17) Uani 1 1 d D .
N4 N 0.7276(6) 0.1906(3) 0.7503(3) 0.0288(18) Uani 1 1 d . .
N5 N 0.7018(6) 0.1754(4) 0.9184(3) 0.034(2) Uani 1 1 d . .
N6 N 0.1979(7) 0.6807(4) 1.2155(3) 0.038(2) Uani 1 1 d . .
N7 N 0.4868(7) 0.1105(4) 0.2987(3) 0.0337(19) Uani 1 1 d . .
N8 N 0.3505(7) 0.1660(4) 0.3535(3) 0.038(2) Uani 1 1 d . .
N9 N 0.3590(6) 0.2308(4) 0.2902(3) 0.0324(19) Uani 1 1 d . .
N10 N 0.4921(6) 0.1751(4) 0.2355(3) 0.037(2) Uani 1 1 d . .
N11 N 0.5554(6) 0.1783(4) 0.3994(4) 0.042(2) Uani 1 1 d . .
N12 N 1.4366(7) 0.6914(4) 0.7288(3) 0.033(2) Uani 1 1 d . U
N13 N 0.5946(12) 0.4486(9) 0.4662(6) 0.115(6) Uani 1 1 d . U
N14 N -0.0587(15) 0.0720(8) 0.7390(7) 0.117(6) Uani 1 1 d . .
O1 O 0.5496(6) 0.3119(4) 0.6647(3) 0.059(2) Uani 1 1 d . .
O2 O 0.5775(7) 0.3384(5) 0.5757(3) 0.071(3) Uani 1 1 d . .
O3 O 0.4363(6) 0.3631(4) 0.6229(3) 0.059(2) Uani 1 1 d . .
O4 O 0.3200(8) 0.1728(4) 0.9843(4) 0.074(3) Uani 1 1 d . U
O5 O 0.2331(13) 0.0766(5) 1.0136(5) 0.141(6) Uani 1 1 d D U
O6 O 0.4039(12) 0.0939(5) 0.9917(7) 0.150(7) Uani 1 1 d . U
O7 O 0.7885(11) 0.2810(6) 0.1625(7) 0.143(6) Uani 1 1 d . .
O8 O 0.9623(11) 0.3296(8) 0.1544(6) 0.150(6) Uani 1 1 d . .
O9 O 0.8274(18) 0.3301(8) 0.0861(7) 0.193(8) Uani 1 1 d D .
O10 O 0.8398(10) 0.1607(5) 0.5029(5) 0.102(4) Uani 1 1 d . .
O11 O 0.8175(11) 0.0877(6) 0.4264(5) 0.119(5) Uani 1 1 d . .
O12 O 0.7934(12) 0.0517(7) 0.5066(7) 0.147(6) Uani 1 1 d . .
S1 S 0.5070(3) 0.32474(15) 0.61735(12) 0.0536(8) Uani 1 1 d . .
S2 S 0.3065(3) 0.10849(15) 0.98446(13) 0.0630(10) Uani 1 1 d D .
S3 S 0.8662(4) 0.3021(2) 0.12855(17) 0.0861(13) Uani 1 1 d D .
S4 S 0.8409(3) 0.10056(17) 0.48068(16) 0.0678(10) Uani 1 1 d . .
F1 F 0.4725(7) 0.2060(4) 0.5881(4) 0.095(3) Uani 1 1 d . .
F2 F 0.3487(8) 0.2310(4) 0.6265(4) 0.100(3) Uani 1 1 d D .
F3 F 0.3793(7) 0.2512(4) 0.5477(3) 0.085(3) Uani 1 1 d . .
F4 F 0.2555(9) 0.0175(4) 0.9126(4) 0.113(4) Uani 1 1 d . .
F5 F 0.1754(9) 0.0843(5) 0.9080(4) 0.119(4) Uani 1 1 d . .
F6 F 0.3349(10) 0.1003(6) 0.8888(5) 0.151(5) Uani 1 1 d D .
F7 F 0.7997(9) 0.1928(5) 0.0769(5) 0.125(4) Uani 1 1 d . .
F8 F 0.9426(11) 0.2440(6) 0.0542(5) 0.163(6) Uani 1 1 d . .
F9 F 0.9308(12) 0.2013(6) 0.1285(6) 0.158(5) Uani 1 1 d . .
F10 F 0.9920(11) 0.0537(8) 0.4566(7) 0.204(8) Uani 1 1 d D U
F11 F 1.0295(13) 0.1474(10) 0.4586(8) 0.222(8) Uani 1 1 d D U
F12 F 1.0125(9) 0.1055(7) 0.5318(5) 0.157(6) Uani 1 1 d D U
C1 C 0.7550(7) 0.1639(4) 0.7899(4) 0.028(2) Uani 1 1 d . .
C2 C 0.8572(7) 0.1829(4) 0.8144(4) 0.038(3) Uani 1 1 d D .
C3 C 0.9828(8) 0.1961(5) 0.8681(4) 0.035(2) Uani 1 1 d . .
C4 C 1.0541(9) 0.1953(6) 0.9096(4) 0.048(3) Uani 1 1 d . .
H4 H 1.0372 0.1686 0.9361 0.058 Uiso 1 1 calc R U
C5 C 1.1492(9) 0.2363(6) 0.9085(5) 0.056(3) Uani 1 1 d . .
H5 H 1.2002 0.2358 0.9344 0.067 Uiso 1 1 calc R U
C6 C 1.1746(9) 0.2762(5) 0.8738(5) 0.050(3) Uani 1 1 d . .
H6 H 1.2416 0.3035 0.8766 0.060 Uiso 1 1 calc R U
C7 C 1.1075(8) 0.2797(5) 0.8338(4) 0.043(3) Uani 1 1 d . .
H7 H 1.1265 0.3079 0.8085 0.051 Uiso 1 1 calc R U
C8 C 1.0081(7) 0.2383(5) 0.8328(4) 0.033(2) Uani 1 1 d . .
C9 C 0.6206(7) 0.1654(4) 0.7460(4) 0.031(2) Uani 1 1 d . .
C10 C 0.5488(8) 0.1774(5) 0.7125(4) 0.038(2) Uani 1 1 d . .
H10 H 0.5680 0.2064 0.6879 0.046 Uiso 1 1 calc R U
C11 C 0.4438(8) 0.1439(5) 0.7167(4) 0.043(3) Uani 1 1 d . .
H11 H 0.3909 0.1498 0.6942 0.052 Uiso 1 1 calc R U
C12 C 0.4194(9) 0.1021(5) 0.7544(5) 0.047(3) Uani 1 1 d . .
H12 H 0.3497 0.0793 0.7564 0.057 Uiso 1 1 calc R U
C13 C 0.4900(8) 0.0937(5) 0.7869(5) 0.048(3) Uani 1 1 d . .
H13 H 0.4700 0.0663 0.8126 0.058 Uiso 1 1 calc R U
C14 C 0.5929(7) 0.1241(4) 0.7842(4) 0.032(2) Uani 1 1 d . .
C15 C 0.6061(9) 0.1779(5) 0.9177(5) 0.048(3) Uani 1 1 d . .
H15 H 0.5575 0.1460 0.8974 0.058 Uiso 1 1 calc R U
C16 C 0.5694(8) 0.2232(5) 0.9443(4) 0.043(3) Uani 1 1 d . .
H16 H 0.4979 0.2223 0.9423 0.052 Uiso 1 1 calc R U
C17 C 0.6396(9) 0.2710(5) 0.9743(4) 0.041(3) Uani 1 1 d . .
C18 C 0.7430(9) 0.2691(6) 0.9729(5) 0.069(4) Uani 1 1 d . .
H18 H 0.7956 0.3022 0.9893 0.082 Uiso 1 1 calc R U
C19 C 0.7675(9) 0.2198(6) 0.9478(6) 0.070(4) Uani 1 1 d . .
H19 H 0.8370 0.2168 0.9514 0.084 Uiso 1 1 calc R U
C20 C 0.6119(9) 0.3238(5) 1.0035(4) 0.046(3) Uani 1 1 d . .
H20 H 0.6614 0.3492 1.0282 0.055 Uiso 1 1 calc R U
C21 C 0.5213(10) 0.3380(5) 0.9972(5) 0.055(3) Uani 1 1 d . .
H21 H 0.4755 0.3160 0.9695 0.066 Uiso 1 1 calc R U
C22 C 0.4880(9) 0.3859(5) 1.0310(4) 0.041(3) Uani 1 1 d . .
C23 C 0.5540(9) 0.4474(5) 1.0400(4) 0.044(3) Uani 1 1 d . .
C24 C 0.6520(11) 0.4651(5) 1.0180(5) 0.055(3) Uani 1 1 d . .
H24 H 0.6755 0.4356 0.9960 0.067 Uiso 1 1 calc R U
C25 C 0.7134(11) 0.5224(6) 1.0273(5) 0.067(4) Uani 1 1 d . .
H25 H 0.7772 0.5343 1.0106 0.081 Uiso 1 1 calc R U
C26 C 0.6783(11) 0.5646(6) 1.0633(5) 0.062(3) Uani 1 1 d . .
H26 H 0.7233 0.6040 1.0725 0.074 Uiso 1 1 calc R U
C27 C 0.5883(11) 0.5518(6) 1.0839(6) 0.063(4) Uani 1 1 d . .
H27 H 0.5677 0.5826 1.1056 0.075 Uiso 1 1 calc R U
C28 C 0.5188(9) 0.4911(5) 1.0742(4) 0.045(3) Uani 1 1 d . .
C29 C 0.4171(9) 0.4759(5) 1.0936(4) 0.045(3) Uani 1 1 d . .
C30 C 0.3523(9) 0.4185(5) 1.0802(4) 0.043(3) Uani 1 1 d . .
C31 C 0.2521(9) 0.4036(6) 1.0996(5) 0.051(3) Uani 1 1 d . .
H31 H 0.2284 0.4340 1.1205 0.061 Uiso 1 1 calc R U
C32 C 0.1863(10) 0.3443(6) 1.0887(5) 0.061(3) Uani 1 1 d . .
H32 H 0.1194 0.3350 1.1026 0.073 Uiso 1 1 calc R U
C33 C 0.2203(10) 0.2978(7) 1.0565(5) 0.063(4) Uani 1 1 d . .
H33 H 0.1760 0.2581 1.0480 0.076 Uiso 1 1 calc R U
C34 C 0.3193(10) 0.3131(6) 1.0385(5) 0.055(3) Uani 1 1 d . .
H34 H 0.3430 0.2823 1.0182 0.066 Uiso 1 1 calc R U
C35 C 0.3900(8) 0.3740(5) 1.0487(4) 0.037(2) Uani 1 1 d . .
C36 C 0.3859(10) 0.5264(5) 1.1276(4) 0.049(3) Uani 1 1 d . .
H36 H 0.4313 0.5463 1.1562 0.059 Uiso 1 1 calc R U
C37 C 0.3007(9) 0.5449(5) 1.1206(4) 0.050(3) Uani 1 1 d . .
H37 H 0.2563 0.5256 1.0915 0.060 Uiso 1 1 calc R U
C38 C 0.2864(8) 0.6666(5) 1.2270(4) 0.035(2) Uani 1 1 d . .
H38 H 0.3245 0.6866 1.2579 0.043 Uiso 1 1 calc R U
C39 C 0.3247(8) 0.6261(5) 1.1977(4) 0.038(2) Uani 1 1 d . .
H39 H 0.3905 0.6201 1.2068 0.045 Uiso 1 1 calc R U
C40 C 0.2691(9) 0.5923(5) 1.1537(4) 0.043(3) Uani 1 1 d . .
C41 C 0.1725(10) 0.6051(5) 1.1452(5) 0.057(3) Uani 1 1 d . .
H41 H 0.1274 0.5819 1.1177 0.068 Uiso 1 1 calc R U
C42 C 0.1430(8) 0.6485(5) 1.1744(4) 0.041(3) Uani 1 1 d . .
H42 H 0.0791 0.6571 1.1655 0.050 Uiso 1 1 calc R U
C43 C 0.8038(9) 0.0495(4) 0.9396(3) 0.039(3) Uani 1 1 d D .
C44 C 0.6950(8) 0.0434(4) 0.9448(4) 0.032(2) Uani 1 1 d . U
C45 C 0.6394(9) 0.0132(5) 0.8980(4) 0.044(3) Uani 1 1 d . U
C46 C 0.7147(8) -0.0029(4) 0.8626(3) 0.033(2) Uani 1 1 d D U
C47 C 0.8120(8) 0.0222(5) 0.8858(4) 0.047(3) Uani 1 1 d D .
C48 C 0.8880(10) 0.0698(6) 0.9817(5) 0.060(3) Uani 1 1 d . .
H48A H 0.8678 0.0979 1.0085 0.090 Uiso 1 1 calc R U
H48B H 0.9524 0.0908 0.9667 0.090 Uiso 1 1 calc R U
H48C H 0.8984 0.0340 0.9974 0.090 Uiso 1 1 calc R U
C49 C 0.6473(10) 0.0613(5) 0.9950(4) 0.049(3) Uani 1 1 d . U
H49A H 0.6233 0.0251 1.0137 0.074 Uiso 1 1 calc R U
H49B H 0.5885 0.0781 0.9869 0.074 Uiso 1 1 calc R U
H49C H 0.6992 0.0923 1.0167 0.074 Uiso 1 1 calc R U
C50 C 0.5254(9) -0.0085(5) 0.8909(5) 0.050(3) Uani 1 1 d . .
H50A H 0.5030 -0.0506 0.9001 0.076 Uiso 1 1 calc R U
H50B H 0.5051 -0.0073 0.8544 0.076 Uiso 1 1 calc R U
H50C H 0.4928 0.0182 0.9134 0.076 Uiso 1 1 calc R U
C51 C 0.6909(11) -0.0292(5) 0.8038(4) 0.060(4) Uani 1 1 d D .
H51A H 0.7532 -0.0162 0.7840 0.089 Uiso 1 1 calc R U
H51B H 0.6350 -0.0136 0.7897 0.089 Uiso 1 1 calc R U
H51C H 0.6697 -0.0740 0.8012 0.089 Uiso 1 1 calc R U
C52 C 0.9159(10) 0.0154(6) 0.8650(6) 0.068(4) Uani 1 1 d D .
H52A H 0.9385 -0.0159 0.8825 0.102 Uiso 1 1 calc R U
H52B H 0.9676 0.0547 0.8717 0.102 Uiso 1 1 calc R U
H52C H 0.9080 0.0032 0.8274 0.102 Uiso 1 1 calc R U
C53 C 0.8771(9) 0.3179(5) 0.6685(4) 0.039(3) Uani 1 1 d . U
C54 C 0.9754(9) 0.3219(4) 0.6908(4) 0.037(2) Uani 1 1 d . U
C55 C 0.9939(7) 0.2620(5) 0.6825(4) 0.041(3) Uani 1 1 d D U
C56 C 0.9051(8) 0.2231(5) 0.6557(4) 0.036(2) Uani 1 1 d . U
C57 C 0.8328(8) 0.2581(5) 0.6454(4) 0.037(2) Uani 1 1 d . U
C58 C 0.8277(11) 0.3736(5) 0.6670(5) 0.061(4) Uani 1 1 d . .
H58A H 0.8701 0.4039 0.6465 0.091 Uiso 1 1 calc R U
H58B H 0.8242 0.3923 0.7025 0.091 Uiso 1 1 calc R U
H58C H 0.7577 0.3594 0.6510 0.091 Uiso 1 1 calc R U
C59 C 1.0495(11) 0.3813(6) 0.7160(5) 0.063(4) Uani 1 1 d . .
H59A H 1.1087 0.3931 0.6939 0.094 Uiso 1 1 calc R U
H59B H 1.0740 0.3746 0.7503 0.094 Uiso 1 1 calc R U
H59C H 1.0130 0.4140 0.7197 0.094 Uiso 1 1 calc R U
C60 C 1.0906(8) 0.2426(6) 0.6963(4) 0.051(3) Uani 1 1 d D U
H60A H 1.0825 0.1995 0.6832 0.077 Uiso 1 1 calc R U
H60B H 1.1018 0.2476 0.7342 0.077 Uiso 1 1 calc R U
H60C H 1.1501 0.2681 0.6805 0.077 Uiso 1 1 calc R U
C61 C 0.8953(11) 0.1553(5) 0.6398(5) 0.060(4) Uani 1 1 d . .
H61A H 0.8220 0.1333 0.6377 0.090 Uiso 1 1 calc R U
H61B H 0.9322 0.1388 0.6658 0.090 Uiso 1 1 calc R U
H61C H 0.9254 0.1503 0.6058 0.090 Uiso 1 1 calc R U
C62 C 0.7353(9) 0.2336(6) 0.6164(4) 0.058(3) Uani 1 1 d . .
H62A H 0.7272 0.1899 0.6055 0.087 Uiso 1 1 calc R U
H62B H 0.6783 0.2387 0.6385 0.087 Uiso 1 1 calc R U
H62C H 0.7344 0.2556 0.5856 0.087 Uiso 1 1 calc R U
C63 C 0.4498(7) 0.1534(5) 0.2778(4) 0.036(2) Uani 1 1 d . .
C64 C 0.3825(8) 0.1831(5) 0.3063(4) 0.041(3) Uani 1 1 d . .
C65 C 0.2990(7) 0.2108(4) 0.3711(4) 0.028(2) Uani 1 1 d . .
C66 C 0.2483(9) 0.2188(6) 0.4152(5) 0.054(3) Uani 1 1 d . .
H66 H 0.2397 0.1903 0.4405 0.065 Uiso 1 1 calc R U
C67 C 0.2089(11) 0.2711(7) 0.4218(6) 0.077(5) Uani 1 1 d . .
H67 H 0.1785 0.2798 0.4538 0.092 Uiso 1 1 calc R U
C68 C 0.2125(12) 0.3094(7) 0.3849(5) 0.070(4) Uani 1 1 d . .
H68 H 0.1827 0.3434 0.3907 0.084 Uiso 1 1 calc R U
C69 C 0.2596(10) 0.2997(5) 0.3383(5) 0.055(3) Uani 1 1 d . .
H69 H 0.2623 0.3258 0.3114 0.066 Uiso 1 1 calc R U
C70 C 0.3016(8) 0.2504(5) 0.3338(4) 0.037(2) Uani 1 1 d . .
C71 C 0.5690(8) 0.1422(4) 0.2258(4) 0.037(3) Uani 1 1 d . U
C72 C 0.6419(9) 0.1456(5) 0.1868(4) 0.048(3) Uani 1 1 d . .
H72 H 0.6464 0.1737 0.1614 0.058 Uiso 1 1 calc R U
C73 C 0.7058(10) 0.1070(6) 0.1867(5) 0.056(3) Uani 1 1 d . .
H73 H 0.7547 0.1077 0.1602 0.068 Uiso 1 1 calc R U
C74 C 0.7010(11) 0.0677(6) 0.2235(6) 0.068(4) Uani 1 1 d . .
H74 H 0.7469 0.0415 0.2220 0.081 Uiso 1 1 calc R U
C75 C 0.6301(9) 0.0640(5) 0.2646(4) 0.045(3) Uani 1 1 d . .
H75 H 0.6281 0.0373 0.2909 0.054 Uiso 1 1 calc R U
C76 C 0.5632(8) 0.1031(4) 0.2629(4) 0.034(2) Uani 1 1 d . .
C77 C 0.6522(8) 0.1767(5) 0.3880(5) 0.045(3) Uani 1 1 d . .
H77 H 0.6615 0.1442 0.3639 0.054 Uiso 1 1 calc R U
C78 C 0.7403(8) 0.2195(5) 0.4092(4) 0.046(3) Uani 1 1 d . .
H78 H 0.8074 0.2190 0.3976 0.055 Uiso 1 1 calc R U
C79 C 0.7252(8) 0.2636(5) 0.4484(4) 0.038(2) Uani 1 1 d . .
C80 C 0.6266(8) 0.2648(5) 0.4607(5) 0.045(3) Uani 1 1 d . .
H80 H 0.6147 0.2954 0.4860 0.054 Uiso 1 1 calc R U
C81 C 0.5458(9) 0.2222(6) 0.4366(6) 0.073(5) Uani 1 1 d . .
H81 H 0.4780 0.2233 0.4467 0.088 Uiso 1 1 calc R U
C82 C 0.8168(8) 0.3054(5) 0.4739(4) 0.043(3) Uani 1 1 d . .
H82 H 0.8810 0.3057 0.4584 0.052 Uiso 1 1 calc R U
C83 C 0.8195(8) 0.3432(5) 0.5170(4) 0.035(2) Uani 1 1 d . .
H83 H 0.7553 0.3417 0.5330 0.042 Uiso 1 1 calc R U
C84 C 0.9109(8) 0.3868(5) 0.5424(4) 0.038(3) Uani 1 1 d . .
C85 C 1.0003(8) 0.3687(4) 0.5555(4) 0.032(2) Uani 1 1 d . .
C86 C 1.0034(8) 0.3056(5) 0.5496(4) 0.039(3) Uani 1 1 d . .
H86 H 0.9431 0.2748 0.5377 0.047 Uiso 1 1 calc R U
C87 C 1.0923(10) 0.2898(5) 0.5611(4) 0.046(3) Uani 1 1 d . .
H87 H 1.0951 0.2482 0.5542 0.055 Uiso 1 1 calc R U
C88 C 1.1820(9) 0.3344(6) 0.5835(5) 0.055(3) Uani 1 1 d . .
H88 H 1.2422 0.3220 0.5930 0.067 Uiso 1 1 calc R U
C89 C 1.1803(9) 0.3933(5) 0.5910(4) 0.047(3) Uani 1 1 d . .
H89 H 1.2404 0.4229 0.6051 0.056 Uiso 1 1 calc R U
C90 C 1.0898(7) 0.4127(4) 0.5781(4) 0.034(2) Uani 1 1 d . .
C91 C 1.0884(9) 0.4761(5) 0.5880(4) 0.043(3) Uani 1 1 d . .
C92 C 0.9981(8) 0.4937(5) 0.5728(4) 0.039(3) Uani 1 1 d . .
C93 C 0.9999(10) 0.5580(5) 0.5755(5) 0.052(3) Uani 1 1 d . .
H93 H 1.0589 0.5883 0.5900 0.062 Uiso 1 1 calc R U
C94 C 0.9170(12) 0.5743(6) 0.5574(5) 0.062(4) Uani 1 1 d . .
H94 H 0.9200 0.6167 0.5581 0.075 Uiso 1 1 calc R U
C95 C 0.8240(11) 0.5309(6) 0.5369(5) 0.061(4) Uani 1 1 d . .
H95 H 0.7653 0.5435 0.5254 0.073 Uiso 1 1 calc R U
C96 C 0.8248(9) 0.4693(6) 0.5350(4) 0.050(3) Uani 1 1 d . .
H96 H 0.7638 0.4395 0.5225 0.060 Uiso 1 1 calc R U
C97 C 0.9087(8) 0.4491(5) 0.5501(4) 0.034(2) Uani 1 1 d . .
C98 C 1.1818(8) 0.5200(5) 0.6115(4) 0.040(3) Uani 1 1 d . .
H98 H 1.2468 0.5197 0.5970 0.048 Uiso 1 1 calc R U
C99 C 1.1787(9) 0.5607(5) 0.6529(5) 0.055(3) Uani 1 1 d . .
H99 H 1.1133 0.5598 0.6674 0.065 Uiso 1 1 calc R U
C100 C 1.4500(9) 0.6516(5) 0.6896(4) 0.047(3) Uani 1 1 d . .
H100 H 1.5188 0.6513 0.6808 0.056 Uiso 1 1 calc R U
C101 C 1.3677(8) 0.6101(6) 0.6606(5) 0.056(3) Uani 1 1 d . .
H101 H 1.3801 0.5855 0.6306 0.067 Uiso 1 1 calc R U
C102 C 1.2691(10) 0.6061(5) 0.6770(5) 0.057(3) Uani 1 1 d . .
C103 C 1.2552(8) 0.6467(5) 0.7214(4) 0.046(3) Uani 1 1 d . .
H103 H 1.1884 0.6446 0.7345 0.055 Uiso 1 1 calc R U
C104 C 1.3412(9) 0.6886(5) 0.7444(4) 0.048(3) Uani 1 1 d . .
H104 H 1.3318 0.7168 0.7725 0.057 Uiso 1 1 calc R U
C105 C 0.3009(8) 0.0312(5) 0.3964(4) 0.040(3) Uani 1 1 d . .
C106 C 0.3689(8) 0.0024(4) 0.3681(4) 0.032(2) Uani 1 1 d . U
C107 C 0.4694(8) 0.0186(5) 0.3982(4) 0.040(3) Uani 1 1 d . U
C108 C 0.4578(8) 0.0579(4) 0.4463(4) 0.036(2) Uani 1 1 d . U
C109 C 0.3560(8) 0.0643(4) 0.4462(4) 0.032(2) Uani 1 1 d . U
C110 C 0.1871(9) 0.0255(6) 0.3817(6) 0.069(4) Uani 1 1 d . .
H11D H 0.1767 0.0186 0.3438 0.103 Uiso 1 1 calc R U
H11E H 0.1683 0.0634 0.3945 0.103 Uiso 1 1 calc R U
H11F H 0.1435 -0.0090 0.3975 0.103 Uiso 1 1 calc R U
C111 C 0.3484(11) -0.0393(6) 0.3191(6) 0.080(5) Uani 1 1 d . .
H11M H 0.2974 -0.0771 0.3249 0.120 Uiso 1 1 calc R U
H11N H 0.4129 -0.0491 0.3080 0.120 Uiso 1 1 calc R U
H11O H 0.3215 -0.0192 0.2920 0.120 Uiso 1 1 calc R U
C112 C 0.5591(11) -0.0041(5) 0.3868(5) 0.061(4) Uani 1 1 d . .
H11J H 0.5568 -0.0401 0.4054 0.092 Uiso 1 1 calc R U
H11K H 0.6217 0.0279 0.3981 0.092 Uiso 1 1 calc R U
H11L H 0.5600 -0.0154 0.3493 0.092 Uiso 1 1 calc R U
C113 C 0.5389(11) 0.0845(6) 0.4887(5) 0.066(4) Uani 1 1 d . .
H11G H 0.5113 0.1097 0.5151 0.099 Uiso 1 1 calc R U
H11H H 0.5999 0.1099 0.4740 0.099 Uiso 1 1 calc R U
H11I H 0.5583 0.0512 0.5048 0.099 Uiso 1 1 calc R U
C114 C 0.3043(10) 0.0942(5) 0.4877(4) 0.051(3) Uani 1 1 d . .
H11A H 0.2849 0.0668 0.5151 0.076 Uiso 1 1 calc R U
H11B H 0.2420 0.1029 0.4730 0.076 Uiso 1 1 calc R U
H11C H 0.3517 0.1326 0.5026 0.076 Uiso 1 1 calc R U
C115 C 0.4434(9) 0.2527(5) 0.1367(4) 0.044(3) Uani 1 1 d . U
C116 C 0.3408(9) 0.2269(5) 0.1503(4) 0.048(3) Uani 1 1 d . U
C117 C 0.3057(9) 0.2755(5) 0.1822(4) 0.044(3) Uani 1 1 d . U
C118 C 0.3915(10) 0.3281(6) 0.1889(4) 0.050(3) Uani 1 1 d . .
C119 C 0.4725(9) 0.3135(5) 0.1603(4) 0.045(3) Uani 1 1 d . .
C120 C 0.5033(11) 0.2198(6) 0.1018(5) 0.065(4) Uani 1 1 d . .
H12J H 0.4854 0.1763 0.1073 0.097 Uiso 1 1 calc R U
H12K H 0.5775 0.2372 0.1094 0.097 Uiso 1 1 calc R U
H12L H 0.4867 0.2242 0.0655 0.097 Uiso 1 1 calc R U
C121 C 0.2694(12) 0.1642(6) 0.1327(4) 0.073(5) Uani 1 1 d . .
H12G H 0.2242 0.1678 0.1035 0.110 Uiso 1 1 calc R U
H12H H 0.2271 0.1491 0.1616 0.110 Uiso 1 1 calc R U
H12I H 0.3110 0.1355 0.1216 0.110 Uiso 1 1 calc R U
C122 C 0.1948(10) 0.2664(6) 0.1999(6) 0.071(4) Uani 1 1 d . .
H12M H 0.1917 0.2988 0.2275 0.107 Uiso 1 1 calc R U
H12N H 0.1722 0.2263 0.2132 0.107 Uiso 1 1 calc R U
H12O H 0.1491 0.2684 0.1704 0.107 Uiso 1 1 calc R U
C123 C 0.3874(12) 0.3899(6) 0.2152(5) 0.065(4) Uani 1 1 d . .
H12D H 0.4467 0.4054 0.2398 0.097 Uiso 1 1 calc R U
H12E H 0.3231 0.3859 0.2339 0.097 Uiso 1 1 calc R U
H12F H 0.3896 0.4186 0.1889 0.097 Uiso 1 1 calc R U
C124 C 0.5798(10) 0.3608(6) 0.1522(5) 0.057(3) Uani 1 1 d . .
H12A H 0.5682 0.3914 0.1300 0.086 Uiso 1 1 calc R U
H12B H 0.6275 0.3388 0.1356 0.086 Uiso 1 1 calc R U
H12C H 0.6098 0.3814 0.1861 0.086 Uiso 1 1 calc R U
C125 C 0.4231(11) 0.2487(7) 0.5935(6) 0.073(4) Uani 1 1 d D .
C126 C 0.2629(10) 0.0760(6) 0.9182(5) 0.056(3) Uani 1 1 d D .
C127 C 0.8866(18) 0.2323(10) 0.0981(8) 0.112(6) Uani 1 1 d . U
C128 C 0.9718(15) 0.1008(8) 0.4822(6) 0.109(6) Uani 1 1 d D U
O13 O 0.4093(7) 0.3497(4) 0.7973(4) 0.071(3) Uani 1 1 d . .
C129 C 0.4417(12) 0.2651(7) 0.8350(6) 0.074(4) Uani 1 1 d . .
H12P H 0.5174 0.2778 0.8389 0.112 Uiso 1 1 calc R U
H12Q H 0.4188 0.2202 0.8319 0.112 Uiso 1 1 calc R U
H12R H 0.4117 0.2822 0.8656 0.112 Uiso 1 1 calc R U
C130 C 0.4075(12) 0.2878(7) 0.7878(6) 0.073(4) Uani 1 1 d . .
H13C H 0.4537 0.2821 0.7591 0.087 Uiso 1 1 calc R U
H13D H 0.3364 0.2640 0.7769 0.087 Uiso 1 1 calc R U
C131 C 0.3704(13) 0.3721(8) 0.7559(6) 0.084(5) Uani 1 1 d . .
H13A H 0.2980 0.3486 0.7476 0.100 Uiso 1 1 calc R U
H13B H 0.4115 0.3667 0.7250 0.100 Uiso 1 1 calc R U
C132 C 0.3737(19) 0.4391(10) 0.7681(10) 0.143(9) Uani 1 1 d . .
H13M H 0.3128 0.4432 0.7876 0.214 Uiso 1 1 calc R U
H13N H 0.3737 0.4581 0.7356 0.214 Uiso 1 1 calc R U
H13O H 0.4367 0.4595 0.7891 0.214 Uiso 1 1 calc R U
C133 C 0.407(2) 0.4816(11) 0.3616(9) 0.166(11) Uani 1 1 d D .
H13J H 0.3785 0.4447 0.3789 0.249 Uiso 1 1 calc R U
H13K H 0.4474 0.5139 0.3869 0.249 Uiso 1 1 calc R U
H13L H 0.4511 0.4720 0.3337 0.249 Uiso 1 1 calc R U
C134 C 0.3231(19) 0.5022(10) 0.3397(11) 0.138(8) Uani 1 1 d D U
H13H H 0.3503 0.5347 0.3169 0.166 Uiso 1 1 calc R U
H13I H 0.2852 0.5190 0.3678 0.166 Uiso 1 1 calc R U
C135 C 0.164(3) 0.4663(17) 0.2906(14) 0.238(16) Uani 1 1 d D U
H13S H 0.1204 0.4696 0.3209 0.286 Uiso 1 1 calc R U
H13T H 0.1886 0.5082 0.2801 0.286 Uiso 1 1 calc R U
C136 C 0.096(2) 0.4311(16) 0.2488(14) 0.253(17) Uani 1 1 d D U
H13P H 0.0402 0.4510 0.2424 0.380 Uiso 1 1 calc R U
H13Q H 0.1351 0.4286 0.2171 0.380 Uiso 1 1 calc R U
H13R H 0.0662 0.3897 0.2583 0.380 Uiso 1 1 calc R U
O14 O 0.2549(14) 0.4498(8) 0.3101(9) 0.176(8) Uani 1 1 d D .
C137 C 0.5164(16) 0.4273(9) 0.4773(6) 0.084(5) Uani 1 1 d . .
C138 C 0.4203(14) 0.3930(9) 0.4949(8) 0.109(7) Uani 1 1 d . .
H13E H 0.4313 0.3572 0.5105 0.163 Uiso 1 1 calc R U
H13F H 0.3704 0.3794 0.4653 0.163 Uiso 1 1 calc R U
H13G H 0.3934 0.4190 0.5209 0.163 Uiso 1 1 calc R U
C139 C 0.0218(18) 0.0905(10) 0.7589(8) 0.113(7) Uani 1 1 d D .
C140 C 0.1313(15) 0.1094(11) 0.7837(8) 0.128(8) Uani 1 1 d D U
H14A H 0.1306 0.1323 0.8179 0.192 Uiso 1 1 calc R U
H14B H 0.1777 0.1353 0.7613 0.192 Uiso 1 1 calc R U
H14C H 0.1558 0.0726 0.7880 0.192 Uiso 1 1 calc R U
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
C47 Rh1 N5 151.6(4) . .
C47 Rh1 C44 65.4(4) . .
N5 Rh1 C44 93.6(3) . .
C47 Rh1 C43 40.6(3) . .
N5 Rh1 C43 111.1(4) . .
C44 Rh1 C43 39.0(4) . .
C47 Rh1 C45 64.7(4) . .
N5 Rh1 C45 111.3(4) . .
C44 Rh1 C45 38.8(4) . .
C43 Rh1 C45 65.8(4) . .
C47 Rh1 N2 97.4(4) . .
N5 Rh1 N2 87.6(3) . .
C44 Rh1 N2 141.6(3) . .
C43 Rh1 N2 105.6(4) . .
C45 Rh1 N2 160.9(4) . .
C47 Rh1 N1 125.0(3) . .
N5 Rh1 N1 83.4(3) . .
C44 Rh1 N1 138.6(3) . .
C43 Rh1 N1 164.5(3) . .
C45 Rh1 N1 104.5(3) . .
N2 Rh1 N1 79.7(3) . .
C47 Rh1 C46 37.1(4) . .
N5 Rh1 C46 149.9(3) . .
C44 Rh1 C46 64.3(3) . .
C43 Rh1 C46 65.1(3) . .
C45 Rh1 C46 38.7(4) . .
N2 Rh1 C46 122.5(3) . .
N1 Rh1 C46 99.6(3) . .
C53 Rh2 N6 95.8(4) . 2_667
C53 Rh2 C54 38.3(4) . .
N6 Rh2 C54 103.7(4) 2_667 .
C53 Rh2 N3 150.8(4) . .
N6 Rh2 N3 87.5(3) 2_667 .
C54 Rh2 N3 112.7(4) . .
C53 Rh2 C55 64.0(4) . .
N6 Rh2 C55 139.7(4) 2_667 .
C54 Rh2 C55 38.8(4) . .
N3 Rh2 C55 95.1(4) . .
C53 Rh2 C56 63.4(4) . .
N6 Rh2 C56 158.4(4) 2_667 .
C54 Rh2 C56 64.2(4) . .
N3 Rh2 C56 113.4(3) . .
C55 Rh2 C56 38.1(4) . .
C53 Rh2 N4 129.7(4) . .
N6 Rh2 N4 83.9(3) 2_667 .
C54 Rh2 N4 165.6(3) . .
N3 Rh2 N4 79.5(3) . .
C55 Rh2 N4 136.2(3) . .
C56 Rh2 N4 104.5(4) . .
C53 Rh2 C57 37.7(4) . .
N6 Rh2 C57 121.3(4) 2_667 .
C54 Rh2 C57 64.1(4) . .
N3 Rh2 C57 151.2(3) . .
C55 Rh2 C57 64.0(4) . .
C56 Rh2 C57 38.1(4) . .
N4 Rh2 C57 101.4(3) . .
N11 Rh3 C105 150.9(4) . .
N11 Rh3 C107 110.5(4) . .
C105 Rh3 C107 65.9(4) . .
N11 Rh3 C106 150.4(4) . .
C105 Rh3 C106 38.4(4) . .
C107 Rh3 C106 40.3(4) . .
N11 Rh3 N8 85.3(4) . .
C105 Rh3 N8 98.6(4) . .
C107 Rh3 N8 163.8(4) . .
C106 Rh3 N8 124.2(4) . .
N11 Rh3 C108 92.0(4) . .
C105 Rh3 C108 66.3(4) . .
C107 Rh3 C108 40.3(4) . .
C106 Rh3 C108 67.3(4) . .
N8 Rh3 C108 139.5(4) . .
N11 Rh3 N7 84.8(3) . .
C105 Rh3 N7 124.3(4) . .
C107 Rh3 N7 104.7(3) . .
C106 Rh3 N7 97.7(3) . .
N8 Rh3 N7 79.6(3) . .
C108 Rh3 N7 140.5(4) . .
N11 Rh3 C109 110.5(4) . .
C105 Rh3 C109 40.7(4) . .
C107 Rh3 C109 65.2(4) . .
C106 Rh3 C109 66.2(4) . .
N8 Rh3 C109 106.6(3) . .
C108 Rh3 C109 37.5(4) . .
N7 Rh3 C109 163.6(3) . .
C118 Rh4 C119 38.8(4) . .
C118 Rh4 N9 113.3(4) . .
C119 Rh4 N9 151.8(4) . .
C118 Rh4 N12 99.2(4) . 2_766
C119 Rh4 N12 93.8(4) . 2_766
N9 Rh4 N12 86.7(3) . 2_766
C118 Rh4 C117 39.0(4) . .
C119 Rh4 C117 64.2(4) . .
N9 Rh4 C117 95.9(4) . .
N12 Rh4 C117 134.9(4) 2_766 .
C118 Rh4 C116 66.3(4) . .
C119 Rh4 C116 64.1(4) . .
N9 Rh4 C116 114.3(4) . .
N12 Rh4 C116 157.6(4) 2_766 .
C117 Rh4 C116 40.0(4) . .
C118 Rh4 C115 65.4(5) . .
C119 Rh4 C115 38.2(4) . .
N9 Rh4 C115 151.9(4) . .
N12 Rh4 C115 121.4(4) 2_766 .
C117 Rh4 C115 64.9(4) . .
C116 Rh4 C115 38.0(4) . .
C118 Rh4 N10 166.4(4) . .
C119 Rh4 N10 129.2(4) . .
N9 Rh4 N10 79.0(3) . .
N12 Rh4 N10 86.8(3) 2_766 .
C117 Rh4 N10 138.0(4) . .
C116 Rh4 N10 104.1(4) . .
C115 Rh4 N10 101.1(4) . .
C1 N1 C14 101.6(7) . .
C1 N1 Rh1 110.3(6) . .
C14 N1 Rh1 146.4(6) . .
C2 N2 C3 102.2(8) . .
C2 N2 Rh1 109.2(6) . .
C3 N2 Rh1 147.8(6) . .
C2 N3 C8 101.3(8) . .
C2 N3 Rh2 111.7(6) . .
C8 N3 Rh2 146.5(6) . .
C1 N4 C9 101.8(8) . .
C1 N4 Rh2 108.6(6) . .
C9 N4 Rh2 148.7(7) . .
C15 N5 C19 116.4(9) . .
C15 N5 Rh1 121.2(7) . .
C19 N5 Rh1 121.9(7) . .
C42 N6 C38 116.4(9) . .
C42 N6 Rh2 123.2(7) . 2_667
C38 N6 Rh2 119.5(7) . 2_667
C63 N7 C76 100.7(8) . .
C63 N7 Rh3 109.8(6) . .
C76 N7 Rh3 147.0(7) . .
C64 N8 C65 102.3(8) . .
C64 N8 Rh3 109.7(7) . .
C65 N8 Rh3 144.8(6) . .
C64 N9 C70 101.7(8) . .
C64 N9 Rh4 111.3(7) . .
C70 N9 Rh4 145.7(7) . .
C63 N10 C71 102.9(9) . .
C63 N10 Rh4 108.6(7) . .
C71 N10 Rh4 146.7(7) . .
C77 N11 C81 115.9(9) . .
C77 N11 Rh3 119.8(7) . .
C81 N11 Rh3 121.6(7) . .
C104 N12 C100 118.7(9) . .
C104 N12 Rh4 117.8(7) . 2_766
C100 N12 Rh4 121.8(7) . 2_766
O1 S1 O3 115.8(5) . .
O1 S1 O2 116.6(6) . .
O3 S1 O2 113.7(6) . .
O1 S1 C125 101.3(6) . .
O3 S1 C125 103.5(6) . .
O2 S1 C125 103.1(6) . .
O5 S2 O4 119.8(8) . .
O5 S2 O6 111.7(10) . .
O4 S2 O6 110.9(7) . .
O5 S2 C126 103.0(8) . .
O4 S2 C126 105.2(6) . .
O6 S2 C126 104.4(8) . .
O7 S3 O8 112.8(11) . .
O7 S3 O9 111.2(12) . .
O8 S3 O9 121.3(12) . .
O7 S3 C127 101.8(9) . .
O8 S3 C127 102.6(10) . .
O9 S3 C127 104.3(11) . .
O12 S4 O11 110.8(10) . .
O12 S4 O10 118.1(10) . .
O11 S4 O10 115.9(8) . .
O12 S4 C128 105.1(9) . .
O11 S4 C128 100.2(8) . .
O10 S4 C128 104.0(8) . .
N4 C1 N1 119.3(8) . .
N4 C1 C2 122.2(9) . .
N1 C1 C2 118.0(9) . .
N2 C2 N3 119.1(9) . .
N2 C2 C1 122.8(9) . .
N3 C2 C1 117.9(9) . .
C8 C3 N2 108.9(8) . .
C8 C3 C4 120.4(10) . .
N2 C3 C4 130.6(10) . .
C5 C4 C3 115.0(11) . .
C6 C5 C4 124.6(12) . .
C5 C6 C7 122.4(11) . .
C6 C7 C8 115.6(11) . .
C3 C8 N3 108.5(8) . .
C3 C8 C7 121.8(9) . .
N3 C8 C7 129.5(9) . .
C10 C9 N4 128.7(9) . .
C10 C9 C14 122.6(9) . .
N4 C9 C14 108.7(8) . .
C9 C10 C11 116.4(10) . .
C12 C11 C10 119.4(9) . .
C13 C12 C11 122.0(11) . .
C12 C13 C14 121.1(11) . .
C13 C14 N1 133.0(10) . .
C13 C14 C9 118.4(10) . .
N1 C14 C9 108.6(8) . .
N5 C15 C16 124.8(10) . .
C15 C16 C17 118.7(10) . .
C18 C17 C16 116.0(9) . .
C18 C17 C20 119.2(10) . .
C16 C17 C20 124.7(10) . .
C19 C18 C17 119.0(10) . .
N5 C19 C18 124.7(11) . .
C21 C20 C17 123.8(10) . .
C20 C21 C22 123.9(10) . .
C35 C22 C23 119.4(9) . .
C35 C22 C21 119.7(10) . .
C23 C22 C21 120.4(10) . .
C24 C23 C28 119.4(10) . .
C24 C23 C22 122.9(10) . .
C28 C23 C22 117.7(10) . .
C25 C24 C23 122.2(11) . .
C24 C25 C26 117.3(12) . .
C27 C26 C25 123.5(13) . .
C26 C27 C28 121.1(12) . .
C29 C28 C23 120.4(11) . .
C29 C28 C27 123.0(11) . .
C23 C28 C27 116.3(11) . .
C30 C29 C28 120.2(10) . .
C30 C29 C36 123.7(11) . .
C28 C29 C36 116.1(11) . .
C29 C30 C31 120.0(10) . .
C29 C30 C35 119.1(10) . .
C31 C30 C35 120.8(10) . .
C30 C31 C32 121.1(11) . .
C31 C32 C33 120.3(12) . .
C34 C33 C32 117.7(12) . .
C33 C34 C35 123.8(11) . .
C22 C35 C30 122.5(10) . .
C22 C35 C34 121.1(10) . .
C30 C35 C34 116.3(10) . .
C37 C36 C29 125.2(11) . .
C36 C37 C40 125.5(11) . .
N6 C38 C39 123.8(10) . .
C38 C39 C40 120.8(10) . .
C39 C40 C41 113.5(9) . .
C39 C40 C37 125.4(10) . .
C41 C40 C37 120.9(10) . .
C42 C41 C40 121.8(10) . .
C41 C42 N6 123.4(10) . .
C44 C43 C47 104.1(8) . .
C44 C43 C48 127.6(9) . .
C47 C43 C48 127.7(11) . .
C44 C43 Rh1 69.9(5) . .
C47 C43 Rh1 68.1(6) . .
C48 C43 Rh1 132.4(8) . .
C45 C44 C43 110.2(9) . .
C45 C44 C49 125.9(10) . .
C43 C44 C49 123.6(9) . .
C45 C44 Rh1 71.6(6) . .
C43 C44 Rh1 71.1(5) . .
C49 C44 Rh1 128.4(7) . .
C44 C45 C46 107.2(9) . .
C44 C45 C50 125.9(11) . .
C46 C45 C50 125.9(10) . .
C44 C45 Rh1 69.7(5) . .
C46 C45 Rh1 72.7(6) . .
C50 C45 Rh1 131.8(8) . .
C47 C46 C45 107.5(9) . .
C47 C46 C51 125.9(10) . .
C45 C46 C51 125.0(10) . .
C47 C46 Rh1 67.2(6) . .
C45 C46 Rh1 68.6(6) . .
C51 C46 Rh1 118.2(6) . .
C46 C47 C43 110.6(9) . .
C46 C47 C52 127.2(10) . .
C43 C47 C52 121.5(10) . .
C46 C47 Rh1 75.7(7) . .
C43 C47 Rh1 71.3(6) . .
C52 C47 Rh1 127.3(8) . .
C54 C53 C57 110.6(9) . .
C54 C53 C58 124.1(11) . .
C57 C53 C58 125.2(11) . .
C54 C53 Rh2 71.0(5) . .
C57 C53 Rh2 74.0(5) . .
C58 C53 Rh2 124.7(7) . .
C53 C54 C55 107.0(9) . .
C53 C54 C59 124.9(10) . .
C55 C54 C59 128.0(11) . .
C53 C54 Rh2 70.6(6) . .
C55 C54 Rh2 71.6(5) . .
C59 C54 Rh2 125.9(7) . .
C56 C55 C54 107.2(9) . .
C56 C55 C60 124.7(10) . .
C54 C55 C60 128.1(10) . .
C56 C55 Rh2 71.0(5) . .
C54 C55 Rh2 69.6(5) . .
C60 C55 Rh2 127.0(7) . .
C55 C56 C57 109.3(9) . .
C55 C56 C61 122.8(9) . .
C57 C56 C61 127.9(10) . .
C55 C56 Rh2 70.9(6) . .
C57 C56 Rh2 72.5(5) . .
C61 C56 Rh2 124.5(8) . .
C53 C57 C56 105.8(10) . .
C53 C57 C62 129.8(10) . .
C56 C57 C62 124.3(11) . .
C53 C57 Rh2 68.3(6) . .
C56 C57 Rh2 69.5(6) . .
C62 C57 Rh2 126.9(7) . .
N10 C63 N7 118.1(9) . .
N10 C63 C64 120.4(11) . .
N7 C63 C64 120.2(10) . .
N9 C64 N8 118.8(9) . .
N9 C64 C63 120.6(10) . .
N8 C64 C63 120.3(10) . .
C66 C65 C70 119.0(10) . .
C66 C65 N8 131.6(10) . .
C70 C65 N8 109.4(8) . .
C65 C66 C67 116.9(13) . .
C68 C67 C66 122.9(14) . .
C67 C68 C69 120.5(13) . .
C70 C69 C68 115.6(12) . .
C69 C70 C65 124.9(10) . .
C69 C70 N9 127.3(10) . .
C65 C70 N9 107.8(8) . .
C76 C71 C72 121.8(10) . .
C76 C71 N10 107.5(9) . .
C72 C71 N10 130.7(10) . .
C73 C72 C71 117.7(10) . .
C74 C73 C72 121.3(11) . .
C73 C74 C75 122.8(12) . .
C76 C75 C74 114.6(11) . .
C71 C76 C75 121.8(10) . .
C71 C76 N7 110.7(9) . .
C75 C76 N7 127.5(9) . .
N11 C77 C78 124.4(10) . .
C77 C78 C79 116.7(10) . .
C80 C79 C78 118.9(10) . .
C80 C79 C82 123.7(10) . .
C78 C79 C82 117.4(9) . .
C81 C80 C79 119.7(10) . .
N11 C81 C80 124.1(11) . .
C83 C82 C79 126.3(10) . .
C82 C83 C84 126.9(10) . .
C85 C84 C97 120.5(9) . .
C85 C84 C83 121.8(9) . .
C97 C84 C83 117.6(10) . .
C84 C85 C90 120.5(9) . .
C84 C85 C86 121.6(9) . .
C90 C85 C86 117.8(9) . .
C87 C86 C85 120.1(10) . .
C86 C87 C88 121.5(10) . .
C89 C88 C87 119.5(11) . .
C88 C89 C90 121.2(10) . .
C85 C90 C89 119.6(9) . .
C85 C90 C91 120.1(9) . .
C89 C90 C91 120.4(9) . .
C92 C91 C90 118.4(9) . .
C92 C91 C98 123.2(9) . .
C90 C91 C98 118.4(10) . .
C91 C92 C97 121.1(9) . .
C91 C92 C93 119.4(10) . .
C97 C92 C93 119.2(10) . .
C94 C93 C92 118.9(11) . .
C93 C94 C95 123.4(12) . .
C96 C95 C94 116.1(12) . .
C97 C96 C95 123.9(11) . .
C96 C97 C84 122.3(10) . .
C96 C97 C92 118.3(10) . .
C84 C97 C92 119.4(9) . .
C99 C98 C91 122.4(10) . .
C98 C99 C102 124.4(11) . .
N12 C100 C101 123.5(10) . .
C102 C101 C100 118.1(10) . .
C101 C102 C103 118.2(10) . .
C101 C102 C99 122.9(11) . .
C103 C102 C99 118.9(11) . .
C104 C103 C102 118.5(10) . .
N12 C104 C103 122.8(10) . .
C106 C105 C109 108.8(9) . .
C106 C105 C110 126.1(10) . .
C109 C105 C110 125.0(10) . .
C106 C105 Rh3 71.7(6) . .
C109 C105 Rh3 71.3(5) . .
C110 C105 Rh3 126.9(8) . .
C105 C106 C111 129.3(10) . .
C105 C106 C107 107.2(9) . .
C111 C106 C107 123.4(10) . .
C105 C106 Rh3 69.9(6) . .
C111 C106 Rh3 127.9(8) . .
C107 C106 Rh3 69.6(6) . .
C112 C107 C106 127.3(10) . .
C112 C107 C108 124.8(10) . .
C106 C107 C108 107.6(9) . .
C112 C107 Rh3 129.6(8) . .
C106 C107 Rh3 70.2(6) . .
C108 C107 Rh3 70.5(5) . .
C109 C108 C107 108.0(9) . .
C109 C108 C113 125.4(10) . .
C107 C108 C113 126.6(10) . .
C109 C108 Rh3 71.8(5) . .
C107 C108 Rh3 69.2(6) . .
C113 C108 Rh3 126.1(8) . .
C108 C109 C114 128.3(10) . .
C108 C109 C105 108.3(9) . .
C114 C109 C105 123.2(9) . .
C108 C109 Rh3 70.7(5) . .
C114 C109 Rh3 129.9(7) . .
C105 C109 Rh3 68.0(5) . .
C119 C115 C116 107.6(10) . .
C119 C115 C120 128.6(11) . .
C116 C115 C120 123.7(10) . .
C119 C115 Rh4 68.8(6) . .
C116 C115 Rh4 70.5(6) . .
C120 C115 Rh4 128.0(8) . .
C115 C116 C117 107.2(9) . .
C115 C116 C121 129.6(11) . .
C117 C116 C121 122.9(11) . .
C115 C116 Rh4 71.5(6) . .
C117 C116 Rh4 69.8(5) . .
C121 C116 Rh4 128.7(8) . .
C118 C117 C116 107.0(10) . .
C118 C117 C122 130.6(12) . .
C116 C117 C122 122.3(10) . .
C118 C117 Rh4 68.6(6) . .
C116 C117 Rh4 70.1(6) . .
C122 C117 Rh4 128.5(8) . .
C119 C118 C117 107.1(11) . .
C119 C118 C123 127.5(11) . .
C117 C118 C123 124.8(12) . .
C119 C118 Rh4 71.0(6) . .
C117 C118 Rh4 72.4(7) . .
C123 C118 Rh4 128.8(8) . .
C118 C119 C115 111.0(10) . .
C118 C119 C124 124.5(11) . .
C115 C119 C124 124.4(11) . .
C118 C119 Rh4 70.2(6) . .
C115 C119 Rh4 73.0(6) . .
C124 C119 Rh4 127.3(8) . .
F1 C125 F3 107.8(12) . .
F1 C125 F2 106.6(14) . .
F3 C125 F2 108.5(12) . .
F1 C125 S1 113.2(10) . .
F3 C125 S1 110.0(11) . .
F2 C125 S1 110.6(10) . .
F5 C126 F6 115.1(14) . .
F5 C126 F4 108.1(12) . .
F6 C126 F4 106.7(12) . .
F5 C126 S2 110.1(9) . .
F6 C126 S2 106.0(10) . .
F4 C126 S2 110.7(9) . .
F9 C127 F7 106.5(18) . .
F9 C127 F8 111(2) . .
F7 C127 F8 100.6(16) . .
F9 C127 S3 115.0(16) . .
F7 C127 S3 113.9(17) . .
F8 C127 S3 109.3(15) . .
F10 C128 F11 102.3(18) . .
F10 C128 F12 107.9(16) . .
F11 C128 F12 107.2(18) . .
F10 C128 S4 114.2(13) . .
F11 C128 S4 112.0(14) . .
F12 C128 S4 112.6(12) . .
C131 O13 C130 113.0(11) . .
O13 C130 C129 110.5(12) . .
O13 C131 C132 111.0(14) . .
C133 C134 O14 107.4(19) . .
C136 C135 O14 124(3) . .
C134 O14 C135 110(2) . .
N13 C137 C138 172(2) . .
N14 C139 C140 175(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C47 2.114(12) .
Rh1 N5 2.123(8) .
Rh1 C44 2.141(9) .
Rh1 C43 2.157(10) .
Rh1 C45 2.167(11) .
Rh1 N2 2.168(8) .
Rh1 N1 2.177(7) .
Rh1 C46 2.222(10) .
Rh2 C53 2.135(9) .
Rh2 N6 2.138(8) 2_667
Rh2 C54 2.140(9) .
Rh2 N3 2.156(7) .
Rh2 C55 2.168(9) .
Rh2 C56 2.170(10) .
Rh2 N4 2.170(8) .
Rh2 C57 2.209(9) .
Rh3 N11 2.117(8) .
Rh3 C105 2.140(11) .
Rh3 C107 2.155(11) .
Rh3 C106 2.163(9) .
Rh3 N8 2.164(8) .
Rh3 C108 2.172(9) .
Rh3 N7 2.185(7) .
Rh3 C109 2.186(9) .
Rh4 C118 2.113(11) .
Rh4 C119 2.124(10) .
Rh4 N9 2.130(7) .
Rh4 N12 2.147(8) 2_766
Rh4 C117 2.162(11) .
Rh4 C116 2.166(10) .
Rh4 C115 2.179(10) .
Rh4 N10 2.194(9) .
N1 C1 1.345(12) .
N1 C14 1.396(12) .
N2 C2 1.314(11) .
N2 C3 1.391(12) .
N3 C2 1.320(11) .
N3 C8 1.412(12) .
N4 C1 1.330(12) .
N4 C9 1.399(11) .
N5 C15 1.292(13) .
N5 C19 1.324(15) .
N6 C42 1.326(13) .
N6 C38 1.334(13) .
N6 Rh2 2.138(8) 2_667
N7 C63 1.343(13) .
N7 C76 1.414(12) .
N8 C64 1.359(13) .
N8 C65 1.402(12) .
N9 C64 1.298(13) .
N9 C70 1.466(12) .
N10 C63 1.320(13) .
N10 C71 1.420(13) .
N11 C77 1.337(13) .
N11 C81 1.346(14) .
N12 C104 1.329(14) .
N12 C100 1.331(12) .
N12 Rh4 2.147(8) 2_766
N13 C137 1.09(2) .
N14 C139 1.15(2) .
O1 S1 1.426(9) .
O2 S1 1.444(9) .
O3 S1 1.432(8) .
O4 S2 1.422(9) .
O5 S2 1.350(11) .
O6 S2 1.432(13) .
O7 S3 1.391(14) .
O8 S3 1.406(14) .
O9 S3 1.469(14) .
O10 S4 1.427(10) .
O11 S4 1.419(12) .
O12 S4 1.371(12) .
S1 C125 1.848(15) .
S2 C126 1.824(12) .
S3 C127 1.78(2) .
S4 C128 1.746(19) .
F1 C125 1.296(15) .
F2 C125 1.330(14) .
F3 C125 1.323(16) .
F4 C126 1.295(15) .
F5 C126 1.256(14) .
F6 C126 1.282(13) .
F7 C127 1.35(2) .
F8 C127 1.38(2) .
F9 C127 1.33(2) .
F10 C128 1.285(14) .
F11 C128 1.347(16) .
F12 C128 1.369(15) .
C1 C2 1.440(13) .
C3 C8 1.370(14) .
C3 C4 1.428(14) .
C4 C5 1.377(16) .
C5 C6 1.323(17) .
C6 C7 1.379(16) .
C7 C8 1.420(14) .
C9 C10 1.374(14) .
C9 C14 1.415(14) .
C10 C11 1.430(14) .
C11 C12 1.411(16) .
C12 C13 1.313(15) .
C13 C14 1.382(14) .
C15 C16 1.372(14) .
C16 C17 1.400(15) .
C17 C18 1.392(16) .
C17 C20 1.479(14) .
C18 C19 1.348(16) .
C20 C21 1.336(16) .
C21 C22 1.484(14) .
C22 C35 1.364(15) .
C22 C23 1.446(15) .
C23 C24 1.415(16) .
C23 C28 1.431(15) .
C24 C25 1.348(17) .
C25 C26 1.433(18) .
C26 C27 1.298(18) .
C27 C28 1.451(17) .
C28 C29 1.426(16) .
C29 C30 1.379(16) .
C29 C36 1.516(15) .
C30 C31 1.408(16) .
C30 C35 1.425(14) .
C31 C32 1.410(17) .
C32 C33 1.442(18) .
C33 C34 1.381(18) .
C34 C35 1.462(16) .
C36 C37 1.320(16) .
C37 C40 1.455(15) .
C38 C39 1.336(14) .
C39 C40 1.398(15) .
C40 C41 1.407(16) .
C41 C42 1.321(15) .
C43 C44 1.433(15) .
C43 C47 1.482(12) .
C43 C48 1.506(15) .
C44 C45 1.430(14) .
C44 C49 1.516(13) .
C45 C46 1.456(15) .
C45 C50 1.481(15) .
C46 C47 1.384(14) .
C46 C51 1.574(12) .
C47 C52 1.531(13) .
C53 C54 1.404(15) .
C53 C57 1.406(15) .
C53 C58 1.563(15) .
C54 C55 1.432(14) .
C54 C59 1.537(16) .
C55 C56 1.415(15) .
C55 C60 1.510(12) .
C56 C57 1.428(14) .
C56 C61 1.520(14) .
C57 C62 1.447(16) .
C63 C64 1.422(14) .
C65 C66 1.354(15) .
C65 C70 1.373(14) .
C66 C67 1.407(16) .
C67 C68 1.342(19) .
C68 C69 1.388(17) .
C69 C70 1.364(15) .
C71 C76 1.357(14) .
C71 C72 1.404(14) .
C72 C73 1.361(16) .
C73 C74 1.357(18) .
C74 C75 1.426(16) .
C75 C76 1.406(15) .
C77 C78 1.391(15) .
C78 C79 1.405(15) .
C79 C80 1.364(15) .
C79 C82 1.451(15) .
C80 C81 1.352(15) .
C82 C83 1.330(14) .
C83 C84 1.466(14) .
C84 C85 1.401(14) .
C84 C97 1.413(14) .
C85 C90 1.428(13) .
C85 C86 1.431(14) .
C86 C87 1.357(15) .
C87 C88 1.434(16) .
C88 C89 1.334(16) .
C89 C90 1.429(14) .
C90 C91 1.437(14) .
C91 C92 1.419(15) .
C91 C98 1.469(15) .
C92 C97 1.433(14) .
C92 C93 1.445(15) .
C93 C94 1.341(18) .
C94 C95 1.436(19) .
C95 C96 1.393(17) .
C96 C97 1.373(15) .
C98 C99 1.350(16) .
C99 C102 1.463(15) .
C100 C101 1.407(15) .
C101 C102 1.372(16) .
C102 C103 1.442(16) .
C103 C104 1.380(15) .
C105 C106 1.415(14) .
C105 C109 1.506(14) .
C105 C110 1.530(16) .
C106 C111 1.483(15) .
C106 C107 1.486(15) .
C107 C112 1.437(16) .
C107 C108 1.491(14) .
C108 C109 1.401(14) .
C108 C113 1.499(15) .
C109 C114 1.483(14) .
C115 C119 1.407(15) .
C115 C116 1.413(16) .
C115 C120 1.479(17) .
C116 C117 1.482(16) .
C116 C121 1.524(15) .
C117 C118 1.427(16) .
C117 C122 1.527(17) .
C118 C119 1.406(16) .
C118 C123 1.507(17) .
C119 C124 1.593(16) .
O13 C131 1.374(17) .
O13 C130 1.391(16) .
C129 C130 1.478(19) .
C131 C132 1.51(2) .
C133 C134 1.44(2) .
C134 O14 1.45(2) .
C135 C136 1.44(2) .
C135 O14 1.45(2) .
C137 C138 1.43(3) .
C139 C140 1.53(2) .
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
C9 N4 C1 N1 1.8(11) .
Rh2 N4 C1 N1 174.1(7) .
C9 N4 C1 C2 -170.0(9) .
Rh2 N4 C1 C2 2.3(11) .
C14 N1 C1 N4 -2.0(11) .
Rh1 N1 C1 N4 -171.6(6) .
C14 N1 C1 C2 170.1(8) .
Rh1 N1 C1 C2 0.5(10) .
C3 N2 C2 N3 -1.2(12) .
Rh1 N2 C2 N3 171.6(7) .
C3 N2 C2 C1 -174.7(9) .
Rh1 N2 C2 C1 -2.0(12) .
C8 N3 C2 N2 -1.0(12) .
Rh2 N3 C2 N2 -175.3(7) .
C8 N3 C2 C1 172.9(9) .
Rh2 N3 C2 C1 -1.4(11) .
N4 C1 C2 N2 173.0(9) .
N1 C1 C2 N2 1.1(14) .
N4 C1 C2 N3 -0.7(14) .
N1 C1 C2 N3 -172.6(8) .
C2 N2 C3 C8 2.9(11) .
Rh1 N2 C3 C8 -164.0(9) .
C2 N2 C3 C4 179.9(11) .
Rh1 N2 C3 C4 13(2) .
C8 C3 C4 C5 -4.3(15) .
N2 C3 C4 C5 179.0(11) .
C3 C4 C5 C6 3.1(18) .
C4 C5 C6 C7 -2(2) .
C5 C6 C7 C8 1.3(17) .
N2 C3 C8 N3 -3.7(11) .
C4 C3 C8 N3 178.9(9) .
N2 C3 C8 C7 -178.4(9) .
C4 C3 C8 C7 4.3(16) .
C2 N3 C8 C3 2.8(11) .
Rh2 N3 C8 C3 173.2(9) .
C2 N3 C8 C7 176.9(10) .
Rh2 N3 C8 C7 -12.7(19) .
C6 C7 C8 C3 -2.6(15) .
C6 C7 C8 N3 -176.1(10) .
C1 N4 C9 C10 177.6(10) .
Rh2 N4 C9 C10 11.8(18) .
C1 N4 C9 C14 -0.7(9) .
Rh2 N4 C9 C14 -166.6(9) .
N4 C9 C10 C11 179.4(9) .
C14 C9 C10 C11 -2.5(14) .
C9 C10 C11 C12 1.0(15) .
C10 C11 C12 C13 1.4(18) .
C11 C12 C13 C14 -2.4(18) .
C12 C13 C14 N1 -178.4(11) .
C12 C13 C14 C9 0.9(16) .
C1 N1 C14 C13 -179.3(11) .
Rh1 N1 C14 C13 -17.2(19) .
C1 N1 C14 C9 1.3(10) .
Rh1 N1 C14 C9 163.5(9) .
C10 C9 C14 C13 1.6(14) .
N4 C9 C14 C13 -179.9(9) .
C10 C9 C14 N1 -178.9(8) .
N4 C9 C14 N1 -0.4(10) .
C19 N5 C15 C16 1.1(19) .
Rh1 N5 C15 C16 173.2(10) .
N5 C15 C16 C17 0.4(19) .
C15 C16 C17 C18 2.3(17) .
C15 C16 C17 C20 178.0(11) .
C16 C17 C18 C19 -7(2) .
C20 C17 C18 C19 177.6(13) .
C15 N5 C19 C18 -6(2) .
Rh1 N5 C19 C18 -177.9(12) .
C17 C18 C19 N5 9(2) .
C18 C17 C20 C21 162.9(13) .
C16 C17 C20 C21 -12.6(19) .
C17 C20 C21 C22 171.9(11) .
C20 C21 C22 C35 -134.9(13) .
C20 C21 C22 C23 52.9(18) .
C35 C22 C23 C24 -172.7(11) .
C21 C22 C23 C24 -0.4(17) .
C35 C22 C23 C28 9.5(16) .
C21 C22 C23 C28 -178.2(10) .
C28 C23 C24 C25 -1.3(19) .
C22 C23 C24 C25 -179.1(12) .
C23 C24 C25 C26 4(2) .
C24 C25 C26 C27 -5(2) .
C25 C26 C27 C28 4(2) .
C24 C23 C28 C29 175.1(11) .
C22 C23 C28 C29 -7.0(16) .
C24 C23 C28 C27 0.0(16) .
C22 C23 C28 C27 177.9(10) .
C26 C27 C28 C29 -176.4(13) .
C26 C27 C28 C23 -1.5(19) .
C23 C28 C29 C30 1.0(16) .
C27 C28 C29 C30 175.7(11) .
C23 C28 C29 C36 -177.4(10) .
C27 C28 C29 C36 -2.7(16) .
C28 C29 C30 C31 179.7(10) .
C36 C29 C30 C31 -2.1(17) .
C28 C29 C30 C35 2.8(16) .
C36 C29 C30 C35 -179.0(10) .
C29 C30 C31 C32 -176.7(11) .
C35 C30 C31 C32 0.2(18) .
C30 C31 C32 C33 -1.0(18) .
C31 C32 C33 C34 1.9(19) .
C32 C33 C34 C35 -2.1(19) .
C23 C22 C35 C30 -6.1(16) .
C21 C22 C35 C30 -178.4(10) .
C23 C22 C35 C34 177.3(10) .
C21 C22 C35 C34 5.0(16) .
C29 C30 C35 C22 -0.2(17) .
C31 C30 C35 C22 -177.1(11) .
C29 C30 C35 C34 176.5(10) .
C31 C30 C35 C34 -0.4(16) .
C33 C34 C35 C22 178.2(12) .
C33 C34 C35 C30 1.4(17) .
C30 C29 C36 C37 -50.2(17) .
C28 C29 C36 C37 128.1(13) .
C29 C36 C37 C40 178.5(11) .
C42 N6 C38 C39 5.0(15) .
Rh2 N6 C38 C39 174.1(8) 2_667
N6 C38 C39 C40 -4.2(17) .
C38 C39 C40 C41 -0.8(16) .
C38 C39 C40 C37 -176.7(11) .
C36 C37 C40 C39 1(2) .
C36 C37 C40 C41 -174.8(13) .
C39 C40 C41 C42 4.7(18) .
C37 C40 C41 C42 -179.1(12) .
C40 C41 C42 N6 -4(2) .
C38 N6 C42 C41 -0.8(17) .
Rh2 N6 C42 C41 -169.4(10) 2_667
C47 C43 C44 C45 1.2(11) .
C48 C43 C44 C45 -170.2(10) .
Rh1 C43 C44 C45 61.2(7) .
C47 C43 C44 C49 175.9(9) .
C48 C43 C44 C49 4.5(16) .
Rh1 C43 C44 C49 -124.1(9) .
C47 C43 C44 Rh1 -60.0(7) .
C48 C43 C44 Rh1 128.6(11) .
C43 C44 C45 C46 2.6(11) .
C49 C44 C45 C46 -171.9(9) .
Rh1 C44 C45 C46 63.5(7) .
C43 C44 C45 C50 171.6(10) .
C49 C44 C45 C50 -3.0(16) .
Rh1 C44 C45 C50 -127.6(11) .
C43 C44 C45 Rh1 -60.9(7) .
C49 C44 C45 Rh1 124.6(10) .
C44 C45 C46 C47 -5.6(11) .
C50 C45 C46 C47 -174.6(10) .
Rh1 C45 C46 C47 55.9(7) .
C44 C45 C46 C51 -171.6(9) .
C50 C45 C46 C51 19.4(16) .
Rh1 C45 C46 C51 -110.2(9) .
C44 C45 C46 Rh1 -61.5(7) .
C50 C45 C46 Rh1 129.6(11) .
C45 C46 C47 C43 6.5(12) .
C51 C46 C47 C43 172.4(9) .
Rh1 C46 C47 C43 63.3(8) .
C45 C46 C47 C52 177.0(11) .
C51 C46 C47 C52 -17.2(18) .
Rh1 C46 C47 C52 -126.3(13) .
C45 C46 C47 Rh1 -56.7(7) .
C51 C46 C47 Rh1 109.1(10) .
C44 C43 C47 C46 -4.8(12) .
C48 C43 C47 C46 166.5(10) .
Rh1 C43 C47 C46 -66.0(8) .
C44 C43 C47 C52 -175.9(10) .
C48 C43 C47 C52 -4.6(18) .
Rh1 C43 C47 C52 122.9(11) .
C44 C43 C47 Rh1 61.2(6) .
C48 C43 C47 Rh1 -127.4(11) .
C57 C53 C54 C55 -1.1(11) .
C58 C53 C54 C55 -177.6(9) .
Rh2 C53 C54 C55 62.8(7) .
C57 C53 C54 C59 175.3(9) .
C58 C53 C54 C59 -1.2(15) .
Rh2 C53 C54 C59 -120.8(10) .
C57 C53 C54 Rh2 -63.8(7) .
C58 C53 C54 Rh2 119.6(9) .
C53 C54 C55 C56 -0.7(11) .
C59 C54 C55 C56 -176.9(10) .
Rh2 C54 C55 C56 61.4(7) .
C53 C54 C55 C60 176.3(9) .
C59 C54 C55 C60 0.1(17) .
Rh2 C54 C55 C60 -121.5(10) .
C53 C54 C55 Rh2 -62.1(7) .
C59 C54 C55 Rh2 121.6(10) .
C54 C55 C56 C57 2.2(11) .
C60 C55 C56 C57 -175.0(9) .
Rh2 C55 C56 C57 62.7(7) .
C54 C55 C56 C61 -179.9(10) .
C60 C55 C56 C61 3.0(16) .
Rh2 C55 C56 C61 -119.4(10) .
C54 C55 C56 Rh2 -60.5(6) .
C60 C55 C56 Rh2 122.4(10) .
C54 C53 C57 C56 2.4(11) .
C58 C53 C57 C56 178.9(9) .
Rh2 C53 C57 C56 -59.7(7) .
C54 C53 C57 C62 -177.3(10) .
C58 C53 C57 C62 -0.8(17) .
Rh2 C53 C57 C62 120.7(11) .
C54 C53 C57 Rh2 62.0(7) .
C58 C53 C57 Rh2 -121.5(10) .
C55 C56 C57 C53 -2.8(11) .
C61 C56 C57 C53 179.4(10) .
Rh2 C56 C57 C53 58.9(6) .
C55 C56 C57 C62 176.9(9) .
C61 C56 C57 C62 -0.9(17) .
Rh2 C56 C57 C62 -121.4(10) .
C55 C56 C57 Rh2 -61.7(7) .
C61 C56 C57 Rh2 120.5(11) .
C71 N10 C63 N7 0.3(11) .
Rh4 N10 C63 N7 -168.7(7) .
C71 N10 C63 C64 167.6(9) .
Rh4 N10 C63 C64 -1.5(11) .
C76 N7 C63 N10 -1.6(11) .
Rh3 N7 C63 N10 165.5(7) .
C76 N7 C63 C64 -168.9(9) .
Rh3 N7 C63 C64 -1.8(11) .
C70 N9 C64 N8 0.5(12) .
Rh4 N9 C64 N8 171.4(7) .
C70 N9 C64 C63 -172.7(9) .
Rh4 N9 C64 C63 -1.8(12) .
C65 N8 C64 N9 -1.0(12) .
Rh3 N8 C64 N9 -166.2(7) .
C65 N8 C64 C63 172.3(9) .
Rh3 N8 C64 C63 7.1(12) .
N10 C63 C64 N9 2.4(15) .
N7 C63 C64 N9 169.4(9) .
N10 C63 C64 N8 -170.8(9) .
N7 C63 C64 N8 -3.8(15) .
C64 N8 C65 C66 178.7(11) .
Rh3 N8 C65 C66 -25.9(19) .
C64 N8 C65 C70 1.0(11) .
Rh3 N8 C65 C70 156.4(10) .
C70 C65 C66 C67 -5.5(16) .
N8 C65 C66 C67 177.0(11) .
C65 C66 C67 C68 6(2) .
C66 C67 C68 C69 -2(2) .
C67 C68 C69 C70 -1(2) .
C68 C69 C70 C65 0.8(18) .
C68 C69 C70 N9 -177.5(11) .
C66 C65 C70 C69 2.5(16) .
N8 C65 C70 C69 -179.4(10) .
C66 C65 C70 N9 -178.8(9) .
N8 C65 C70 N9 -0.8(11) .
C64 N9 C70 C69 178.8(11) .
Rh4 N9 C70 C69 13.9(19) .
C64 N9 C70 C65 0.2(10) .
Rh4 N9 C70 C65 -164.7(9) .
C63 N10 C71 C76 1.2(10) .
Rh4 N10 C71 C76 162.0(9) .
C63 N10 C71 C72 -178.5(10) .
Rh4 N10 C71 C72 -17.7(18) .
C76 C71 C72 C73 1.4(16) .
N10 C71 C72 C73 -178.9(11) .
C71 C72 C73 C74 -1.5(19) .
C72 C73 C74 C75 0(2) .
C73 C74 C75 C76 1.8(18) .
C72 C71 C76 C75 0.3(15) .
N10 C71 C76 C75 -179.4(9) .
C72 C71 C76 N7 177.5(9) .
N10 C71 C76 N7 -2.3(10) .
C74 C75 C76 C71 -1.8(15) .
C74 C75 C76 N7 -178.5(10) .
C63 N7 C76 C71 2.3(10) .
Rh3 N7 C76 C71 -155.0(9) .
C63 N7 C76 C75 179.3(10) .
Rh3 N7 C76 C75 21.9(18) .
C81 N11 C77 C78 -5.0(18) .
Rh3 N11 C77 C78 -166.7(9) .
N11 C77 C78 C79 6.0(18) .
C77 C78 C79 C80 -4.7(16) .
C77 C78 C79 C82 175.0(10) .
C78 C79 C80 C81 2.9(18) .
C82 C79 C80 C81 -176.8(13) .
C77 N11 C81 C80 3(2) .
Rh3 N11 C81 C80 164.2(12) .
C79 C80 C81 N11 -2(2) .
C80 C79 C82 C83 11.3(19) .
C78 C79 C82 C83 -168.4(11) .
C79 C82 C83 C84 -178.2(10) .
C82 C83 C84 C85 -52.5(15) .
C82 C83 C84 C97 123.3(12) .
C97 C84 C85 C90 1.6(14) .
C83 C84 C85 C90 177.2(9) .
C97 C84 C85 C86 177.9(9) .
C83 C84 C85 C86 -6.5(14) .
C84 C85 C86 C87 177.9(10) .
C90 C85 C86 C87 -5.7(14) .
C85 C86 C87 C88 5.6(16) .
C86 C87 C88 C89 -3.4(18) .
C87 C88 C89 C90 1.4(18) .
C84 C85 C90 C89 -179.8(10) .
C86 C85 C90 C89 3.9(15) .
C84 C85 C90 C91 0.5(15) .
C86 C85 C90 C91 -175.9(9) .
C88 C89 C90 C85 -1.8(17) .
C88 C89 C90 C91 177.9(11) .
C85 C90 C91 C92 -2.6(15) .
C89 C90 C91 C92 177.7(10) .
C85 C90 C91 C98 179.8(9) .
C89 C90 C91 C98 0.0(15) .
C90 C91 C92 C97 2.7(15) .
C98 C91 C92 C97 -179.9(9) .
C90 C91 C92 C93 -171.4(10) .
C98 C91 C92 C93 6.1(16) .
C91 C92 C93 C94 175.0(11) .
C97 C92 C93 C94 0.9(16) .
C92 C93 C94 C95 2.5(19) .
C93 C94 C95 C96 -2.2(19) .
C94 C95 C96 C97 -1.6(18) .
C95 C96 C97 C84 -173.0(10) .
C95 C96 C97 C92 4.7(16) .
C85 C84 C97 C96 176.1(10) .
C83 C84 C97 C96 0.3(14) .
C85 C84 C97 C92 -1.6(14) .
C83 C84 C97 C92 -177.4(9) .
C91 C92 C97 C96 -178.4(10) .
C93 C92 C97 C96 -4.3(15) .
C91 C92 C97 C84 -0.6(15) .
C93 C92 C97 C84 173.4(9) .
C92 C91 C98 C99 51.4(16) .
C90 C91 C98 C99 -131.1(12) .
C91 C98 C99 C102 -178.7(11) .
C104 N12 C100 C101 5.7(18) .
Rh4 N12 C100 C101 170.7(10) 2_766
N12 C100 C101 C102 -7(2) .
C100 C101 C102 C103 2.9(19) .
C100 C101 C102 C99 -174.2(12) .
C98 C99 C102 C101 -3(2) .
C98 C99 C102 C103 -179.6(12) .
C101 C102 C103 C104 1.7(19) .
C99 C102 C103 C104 178.9(12) .
C100 N12 C104 C103 -0.6(17) .
Rh4 N12 C104 C103 -166.1(9) 2_766
C102 C103 C104 N12 -3.1(18) .
C109 C105 C106 C111 174.8(11) .
C110 C105 C106 C111 -0.4(19) .
Rh3 C105 C106 C111 -123.2(12) .
C109 C105 C106 C107 -2.1(11) .
C110 C105 C106 C107 -177.3(11) .
Rh3 C105 C106 C107 59.9(7) .
C109 C105 C106 Rh3 -62.0(7) .
C110 C105 C106 Rh3 122.8(12) .
C105 C106 C107 C112 174.6(11) .
C111 C106 C107 C112 -2.6(18) .
Rh3 C106 C107 C112 -125.3(11) .
C105 C106 C107 C108 0.7(11) .
C111 C106 C107 C108 -176.5(11) .
Rh3 C106 C107 C108 60.8(7) .
C105 C106 C107 Rh3 -60.1(7) .
C111 C106 C107 Rh3 122.7(11) .
C112 C107 C108 C109 -173.0(10) .
C106 C107 C108 C109 1.1(11) .
Rh3 C107 C108 C109 61.7(6) .
C112 C107 C108 C113 5.1(17) .
C106 C107 C108 C113 179.1(10) .
Rh3 C107 C108 C113 -120.2(11) .
C112 C107 C108 Rh3 125.3(11) .
C106 C107 C108 Rh3 -60.6(7) .
C107 C108 C109 C114 173.8(9) .
C113 C108 C109 C114 -4.3(17) .
Rh3 C108 C109 C114 -126.1(10) .
C107 C108 C109 C105 -2.4(11) .
C113 C108 C109 C105 179.5(10) .
Rh3 C108 C109 C105 57.7(6) .
C107 C108 C109 Rh3 -60.1(7) .
C113 C108 C109 Rh3 121.8(11) .
C106 C105 C109 C108 2.9(11) .
C110 C105 C109 C108 178.1(10) .
Rh3 C105 C109 C108 -59.4(6) .
C106 C105 C109 C114 -173.5(9) .
C110 C105 C109 C114 1.7(16) .
Rh3 C105 C109 C114 124.2(9) .
C106 C105 C109 Rh3 62.3(7) .
C110 C105 C109 Rh3 -122.5(11) .
C119 C115 C116 C117 2.0(12) .
C120 C115 C116 C117 -175.6(10) .
Rh4 C115 C116 C117 61.1(7) .
C119 C115 C116 C121 175.6(11) .
C120 C115 C116 C121 -2.1(19) .
Rh4 C115 C116 C121 -125.4(13) .
C119 C115 C116 Rh4 -59.0(8) .
C120 C115 C116 Rh4 123.3(11) .
C115 C116 C117 C118 -3.2(12) .
C121 C116 C117 C118 -177.3(10) .
Rh4 C116 C117 C118 59.0(7) .
C115 C116 C117 C122 174.2(10) .
C121 C116 C117 C122 0.1(16) .
Rh4 C116 C117 C122 -123.7(10) .
C115 C116 C117 Rh4 -62.2(7) .
C121 C116 C117 Rh4 123.8(11) .
C116 C117 C118 C119 3.1(11) .
C122 C117 C118 C119 -174.0(11) .
Rh4 C117 C118 C119 63.0(7) .
C116 C117 C118 C123 174.6(10) .
C122 C117 C118 C123 -2.4(18) .
Rh4 C117 C118 C123 -125.5(11) .
C116 C117 C118 Rh4 -59.9(7) .
C122 C117 C118 Rh4 123.0(12) .
C117 C118 C119 C115 -1.9(12) .
C123 C118 C119 C115 -173.2(11) .
Rh4 C118 C119 C115 61.9(8) .
C117 C118 C119 C124 173.9(9) .
C123 C118 C119 C124 2.7(18) .
Rh4 C118 C119 C124 -122.2(10) .
C117 C118 C119 Rh4 -63.9(7) .
C123 C118 C119 Rh4 124.9(12) .
C116 C115 C119 C118 -0.1(13) .
C120 C115 C119 C118 177.4(11) .
Rh4 C115 C119 C118 -60.2(8) .
C116 C115 C119 C124 -176.0(10) .
C120 C115 C119 C124 1.6(18) .
Rh4 C115 C119 C124 123.9(11) .
C116 C115 C119 Rh4 60.1(8) .
C120 C115 C119 Rh4 -122.4(12) .
O1 S1 C125 F1 -56.7(12) .
O3 S1 C125 F1 -177.0(11) .
O2 S1 C125 F1 64.3(12) .
O1 S1 C125 F3 -177.4(9) .
O3 S1 C125 F3 62.3(11) .
O2 S1 C125 F3 -56.4(11) .
O1 S1 C125 F2 62.8(11) .
O3 S1 C125 F2 -57.5(12) .
O2 S1 C125 F2 -176.2(10) .
O5 S2 C126 F5 60.9(13) .
O4 S2 C126 F5 -65.3(12) .
O6 S2 C126 F5 177.8(11) .
O5 S2 C126 F6 -174.0(12) .
O4 S2 C126 F6 59.8(12) .
O6 S2 C126 F6 -57.1(12) .
O5 S2 C126 F4 -58.6(13) .
O4 S2 C126 F4 175.1(10) .
O6 S2 C126 F4 58.2(12) .
O7 S3 C127 F9 -69.9(18) .
O8 S3 C127 F9 47.0(18) .
O9 S3 C127 F9 174.3(17) .
O7 S3 C127 F7 53.5(18) .
O8 S3 C127 F7 170.4(16) .
O9 S3 C127 F7 -62.3(18) .
O7 S3 C127 F8 165.1(16) .
O8 S3 C127 F8 -78.0(18) .
O9 S3 C127 F8 49(2) .
O12 S4 C128 F10 65.4(18) .
O11 S4 C128 F10 -49.7(17) .
O10 S4 C128 F10 -169.9(16) .
O12 S4 C128 F11 -179.0(15) .
O11 S4 C128 F11 66.0(15) .
O10 S4 C128 F11 -54.3(15) .
O12 S4 C128 F12 -58.1(16) .
O11 S4 C128 F12 -173.1(13) .
O10 S4 C128 F12 66.6(15) .
C131 O13 C130 C129 -175.2(13) .
C130 O13 C131 C132 179.9(15) .
C133 C134 O14 C135 175(3) .
C136 C135 O14 C134 162(4) .
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
_platon_squeeze_void_content
1 -0.056 0.103 0.281 381 61 ' '
2 0.000 0.500 1.000 455 110 ' '
3 0.056 0.896 0.719 383 61 ' '
4 0.356 0.472 0.656 8 0 ' '
5 0.403 0.528 0.242 7 1 ' '
6 0.597 0.472 0.758 7 1 ' '
7 0.644 0.528 0.344 8 0 ' '
