#------------------------------------------------------------------------------
#$Date: 2021-06-05 19:27:14 +0200 (Sat 05 de Jun de 2021) $
#$Revision: 265876 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/82/7128275.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_7128275
loop_
_publ_author_name
'Yatabe, Takeshi'
'Kamitakahara, Kazuki'
'Higashijima, Kaede'
'Ando, Tatsuya'
'Matsumoto, Takahiro'
'Yoon, Ki-Seok'
'Enomoto, Takao'
'Ogo, Seiji'
_publ_section_title
;
 Synthesis of acetic acid from CO₂, CH₃I and
 H₂ using a water-soluble electron storage catalyst.
;
_journal_issue                   39
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4772
_journal_page_last               4774
_journal_paper_doi               10.1039/d1cc01611c
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C21 H14 F3 N4 O3 Rh S'
_chemical_formula_sum            'C21 H14 F3 N4 O3 Rh S'
_chemical_formula_weight         562.33
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-01-06 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   28.4028(6)
_cell_length_b                   25.8252(6)
_cell_length_c                   6.40719(18)
_cell_measurement_reflns_used    18476
_cell_measurement_temperature    123
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.33
_cell_volume                     4699.7(2)
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            44510
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         2.472
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.867
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.402
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2240.00
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.63
_refine_diff_density_min         -0.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     457
_refine_ls_number_reflns         5870
_refine_ls_number_restraints     133
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0689P)²+18.7339P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
_refine_ls_wR_factor_ref         0.1440
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4906
_reflns_number_total             5870
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1cc01611c2.cif
_cod_data_source_block           Compound2
_cod_depositor_comments
'Adding full bibliography for 7128273--7128275.cif.'
_cod_database_code               7128275
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,+Z
3 1/2+X,1/2-Y,1/2-Z
4 1/2-X,1/2+Y,1/2-Z
5 -X,-Y,-Z
6 +X,+Y,-Z
7 -1/2-X,-1/2+Y,-1/2+Z
8 -1/2+X,-1/2-Y,-1/2+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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.28735(2) 0.10824(2) 0.500000 0.02267(13) Uani 1 2 d S T P . .
Rh2 Rh 0.20822(2) 0.61024(2) 0.500000 0.02402(13) Uani 1 2 d S T P . .
S1 S 0.31987(6) 0.40224(6) 0.500000 0.0420(4) Uani 1 2 d DS T P A 1
F1 F 0.40716(17) 0.37180(17) 0.500000 0.0857(18) Uani 1 2 d DS T P A 1
F2 F 0.39416(14) 0.44281(14) 0.6692(6) 0.0988(14) Uani 1 1 d D . . A 1
O1 O 0.29927(19) 0.45252(16) 0.500000 0.0666(17) Uani 1 2 d DS T P A 1
O2 O 0.31302(16) 0.37271(14) 0.6869(6) 0.0691(11) Uani 1 1 d D . . A 1
C41 C 0.3817(3) 0.4155(2) 0.500000 0.060(2) Uani 1 2 d DS T P A 1
S2 S 0.5013(3) 0.04386(19) 0.500000 0.0500(15) Uani 0.5 2 d DS T P B 2
F3 F 0.5442(7) -0.0455(12) 0.500000 0.079(8) Uani 0.5 2 d DS T P B 2
F4 F 0.4826(7) -0.0451(7) 0.667(3) 0.099(5) Uani 0.5 1 d D . P B 2
O3 O 0.4536(8) 0.0571(14) 0.500000 0.065(7) Uani 0.5 2 d DS T P B 2
O4 O 0.5282(10) 0.0569(10) 0.678(5) 0.137(9) Uani 0.5 1 d D . P B 2
C42 C 0.5018(8) -0.0251(6) 0.500000 0.037(5) Uani 0.5 2 d DS T P B 2
S3 S 0.41722(18) 0.8110(2) 0.6716(10) 0.0475(12) Uani 0.25 1 d D U P C 3
F5 F 0.4622(5) 0.7908(6) 0.332(2) 0.091(4) Uani 0.25 1 d D U P C 3
F6 F 0.3849(6) 0.7922(8) 0.310(3) 0.117(6) Uani 0.25 1 d D U P C 3
F7 F 0.4249(7) 0.8587(5) 0.316(2) 0.096(4) Uani 0.25 1 d D U P C 3
O5 O 0.3680(3) 0.8260(6) 0.661(3) 0.081(5) Uani 0.25 1 d D U P C 3
O6 O 0.4539(5) 0.8382(6) 0.744(2) 0.062(4) Uani 0.25 1 d D U P C 3
O7 O 0.4179(7) 0.7559(5) 0.723(3) 0.079(5) Uani 0.25 1 d D U P C 3
C43 C 0.4236(6) 0.8120(7) 0.389(2) 0.072(4) Uani 0.25 1 d D U P C 3
N1 N 0.30196(16) 0.02929(17) 0.500000 0.0271(9) Uani 1 2 d S T P . .
N2 N 0.22437(15) 0.08031(16) 0.500000 0.0241(9) Uani 1 2 d S T P . .
N3 N 0.25334(14) 0.17296(17) 0.500000 0.0237(9) Uani 1 2 d S T P . .
N4 N 0.34314(15) 0.16056(17) 0.500000 0.0252(9) Uani 1 2 d S T P . .
N5 N 0.17332(17) 0.53962(19) 0.500000 0.0313(10) Uani 1 2 d S T P . .
N6 N 0.14366(15) 0.6338(2) 0.500000 0.0303(10) Uani 1 2 d S T P . .
N7 N 0.21939(16) 0.68375(17) 0.500000 0.0275(10) Uani 1 2 d S T P . .
N8 N 0.28160(15) 0.61180(16) 0.500000 0.0250(9) Uani 1 2 d S T P . .
C1 C 0.3440(2) 0.0050(2) 0.500000 0.0299(12) Uani 1 2 d S T P . .
H1 H 0.372033 0.025038 0.500000 0.036 Uiso 1 2 calc R U P . .
C2 C 0.3474(2) -0.0490(2) 0.500000 0.0356(13) Uani 1 2 d S T P . .
H2 H 0.377388 -0.065310 0.500000 0.043 Uiso 1 2 calc R U P . .
C3 C 0.3074(2) -0.0781(2) 0.500000 0.0389(14) Uani 1 2 d S T P . .
H3 H 0.309303 -0.114803 0.500000 0.047 Uiso 1 2 calc R U P . .
C4 C 0.2637(2) -0.0539(2) 0.500000 0.0360(13) Uani 1 2 d S T P . .
H4 H 0.235650 -0.073843 0.500000 0.043 Uiso 1 2 calc R U P . .
C5 C 0.2616(2) -0.0003(2) 0.500000 0.0289(11) Uani 1 2 d S T P . .
C6 C 0.21733(19) 0.0293(2) 0.500000 0.0282(11) Uani 1 2 d S T P . .
C7 C 0.1716(2) 0.0097(2) 0.500000 0.0335(13) Uani 1 2 d S T P . .
H7 H 0.165823 -0.026497 0.500000 0.040 Uiso 1 2 calc R U P . .
C8 C 0.1347(2) 0.0450(2) 0.500000 0.0364(13) Uani 1 2 d S T P . .
H8 H 0.103252 0.032495 0.500000 0.044 Uiso 1 2 calc R U P . .
C9 C 0.14266(19) 0.0981(2) 0.500000 0.0310(12) Uani 1 2 d S T P . .
H9 H 0.117070 0.121796 0.500000 0.037 Uiso 1 2 calc R U P . .
C10 C 0.18867(18) 0.1157(2) 0.500000 0.0251(11) Uani 1 2 d S T P . .
C11 C 0.20539(18) 0.1693(2) 0.500000 0.0298(12) Uani 1 2 d S T P . .
C12 C 0.1793(2) 0.2150(2) 0.500000 0.0303(12) Uani 1 2 d S T P . .
H12 H 0.145889 0.213871 0.500000 0.036 Uiso 1 2 calc R U P . .
C13 C 0.2024(2) 0.2619(2) 0.500000 0.0334(13) Uani 1 2 d S T P . .
H13 H 0.184685 0.293082 0.500000 0.040 Uiso 1 2 calc R U P . .
C14 C 0.2515(2) 0.2644(2) 0.500000 0.0310(12) Uani 1 2 d S T P . .
H14 H 0.267237 0.296837 0.500000 0.037 Uiso 1 2 calc R U P . .
C15 C 0.27694(19) 0.21823(19) 0.500000 0.0250(10) Uani 1 2 d S T P . .
C16 C 0.32835(19) 0.2112(2) 0.500000 0.0272(11) Uani 1 2 d S T P . .
C17 C 0.3597(2) 0.2521(2) 0.500000 0.0331(13) Uani 1 2 d S T P . .
H17 H 0.348506 0.286810 0.500000 0.040 Uiso 1 2 calc R U P . .
C18 C 0.4076(2) 0.2421(2) 0.500000 0.0391(14) Uani 1 2 d S T P . .
H18 H 0.429730 0.269644 0.500000 0.047 Uiso 1 2 calc R U P . .
C19 C 0.4224(2) 0.1914(3) 0.500000 0.0351(13) Uani 1 2 d S T P . .
H19 H 0.455082 0.183566 0.500000 0.042 Uiso 1 2 calc R U P . .
C20 C 0.38968(18) 0.1519(2) 0.500000 0.0289(11) Uani 1 2 d S T P . .
H20 H 0.400574 0.117081 0.500000 0.035 Uiso 1 2 calc R U P . .
C21 C 0.1912(2) 0.4912(2) 0.500000 0.0359(13) Uani 1 2 d S T P . .
H21 H 0.224322 0.486464 0.500000 0.043 Uiso 1 2 calc R U P . .
C22 C 0.1616(3) 0.4478(3) 0.500000 0.0431(15) Uani 1 2 d S T P . .
H22 H 0.174768 0.413927 0.500000 0.052 Uiso 1 2 calc R U P . .
C23 C 0.1135(2) 0.4543(3) 0.500000 0.0491(18) Uani 1 2 d S T P . .
H23 H 0.093318 0.424919 0.500000 0.059 Uiso 1 2 calc R U P . .
C24 C 0.0946(2) 0.5035(3) 0.500000 0.0417(15) Uani 1 2 d S T P . .
H24 H 0.061446 0.508553 0.500000 0.050 Uiso 1 2 calc R U P . .
C25 C 0.1250(2) 0.5456(2) 0.500000 0.0334(13) Uani 1 2 d S T P . .
C26 C 0.1078(2) 0.5990(3) 0.500000 0.0349(13) Uani 1 2 d S T P . .
C27 C 0.0613(2) 0.6180(3) 0.500000 0.0412(15) Uani 1 2 d S T P . .
H27 H 0.035283 0.594871 0.500000 0.049 Uiso 1 2 calc R U P . .
C28 C 0.0542(2) 0.6707(3) 0.500000 0.0450(16) Uani 1 2 d S T P . .
H28 H 0.022893 0.683798 0.500000 0.054 Uiso 1 2 calc R U P . .
C29 C 0.0912(2) 0.7047(3) 0.500000 0.0424(15) Uani 1 2 d S T P . .
H29 H 0.085645 0.741014 0.500000 0.051 Uiso 1 2 calc R U P . .
C30 C 0.1366(2) 0.6860(2) 0.500000 0.0321(12) Uani 1 2 d S T P . .
C31 C 0.1809(2) 0.7154(2) 0.500000 0.0316(12) Uani 1 2 d S T P . .
C32 C 0.1876(3) 0.7689(2) 0.500000 0.0390(14) Uani 1 2 d S T P . .
H32 H 0.161322 0.791748 0.500000 0.047 Uiso 1 2 calc R U P . .
C33 C 0.2322(3) 0.7880(2) 0.500000 0.0397(15) Uani 1 2 d S T P . .
H33 H 0.236798 0.824418 0.500000 0.048 Uiso 1 2 calc R U P . .
C34 C 0.2709(2) 0.7560(2) 0.500000 0.0339(13) Uani 1 2 d S T P . .
H34 H 0.301812 0.769920 0.500000 0.041 Uiso 1 2 calc R U P . .
C35 C 0.2637(2) 0.7026(2) 0.500000 0.0271(11) Uani 1 2 d S T P . .
C36 C 0.29914(19) 0.6607(2) 0.500000 0.0268(11) Uani 1 2 d S T P . .
C37 C 0.3474(2) 0.6706(3) 0.500000 0.0353(13) Uani 1 2 d S T P . .
H37 H 0.358921 0.705184 0.500000 0.042 Uiso 1 2 calc R U P . .
C38 C 0.3784(2) 0.6288(3) 0.500000 0.0406(15) Uani 1 2 d S T P . .
H38 H 0.411482 0.634394 0.500000 0.049 Uiso 1 2 calc R U P . .
C39 C 0.36027(19) 0.5789(2) 0.500000 0.0330(13) Uani 1 2 d S T P . .
H39 H 0.380709 0.549760 0.500000 0.040 Uiso 1 2 calc R U P . .
C40 C 0.31231(19) 0.5723(2) 0.500000 0.0282(11) Uani 1 2 d S T P . .
H40 H 0.300221 0.537995 0.500000 0.034 Uiso 1 2 calc R U P . .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(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
_geom_angle_publ_flag
N2 Rh1 N3 81.93(18) . . ?
N2 Rh1 N1 79.54(18) . . ?
N3 Rh1 N1 161.47(18) . . ?
N2 Rh1 N4 161.51(18) . . ?
N3 Rh1 N4 79.58(17) . . ?
N1 Rh1 N4 118.95(18) . . ?
N7 Rh2 N6 81.1(2) . . ?
N7 Rh2 N5 161.0(2) . . ?
N6 Rh2 N5 79.8(2) . . ?
N7 Rh2 N8 79.40(18) . . ?
N6 Rh2 N8 160.54(19) . . ?
N5 Rh2 N8 119.64(18) . . ?
O1 S1 O2 115.42(18) . 6_556 ?
O1 S1 O2 115.42(18) . . ?
O2 S1 O2 113.4(3) 6_556 . ?
O1 S1 C41 103.3(3) . . ?
O2 S1 C41 103.6(2) 6_556 . ?
O2 S1 C41 103.6(2) . . ?
F1 C41 F2 107.5(4) . . ?
F1 C41 F2 107.5(4) . 6_556 ?
F2 C41 F2 107.8(6) . 6_556 ?
F1 C41 S1 111.7(5) . . ?
F2 C41 S1 111.1(4) . . ?
F2 C41 S1 111.1(4) 6_556 . ?
C42 S2 O3 94(4) 5_656 . ?
F4 S2 O3 111.9(12) 2_655 . ?
F4 S2 O3 111.9(12) 5_656 . ?
F3 S2 O3 12(3) 5_656 . ?
C42 S2 O4 109.3(19) 5_656 . ?
F4 S2 O4 16(2) 2_655 . ?
F4 S2 O4 121.7(12) 5_656 . ?
F3 S2 O4 122.1(16) 5_656 . ?
O3 S2 O4 117.7(15) . . ?
O4 S2 O4 108(3) 6_556 . ?
C42 S2 C42 11(4) 5_656 . ?
F4 S2 C42 91.4(9) 2_655 . ?
F4 S2 C42 91.4(9) 5_656 . ?
F3 S2 C42 92.3(15) 5_656 . ?
O3 S2 C42 104.6(17) . . ?
O4 S2 C42 103.5(12) 6_556 . ?
O4 S2 C42 103.5(12) . . ?
O3 F3 C42 125(10) 5_656 . ?
S2 F3 C42 21.7(7) 5_656 . ?
O4 F4 C42 134(8) 2_655 . ?
S2 F4 C42 22.0(7) 5_656 . ?
F3 O3 S2 64(8) 5_656 . ?
F4 O4 S2 48(5) 2_655 . ?
S2 C42 F4 62.5(17) 5_656 . ?
C42 C42 F4 111.2(14) 5_656 . ?
F4 C42 F4 110(3) 6_556 . ?
S2 C42 F3 77(3) 5_656 . ?
C42 C42 F3 118(3) 5_656 . ?
F4 C42 F3 102.9(13) 6_556 . ?
F4 C42 F3 102.9(13) . . ?
S2 C42 S2 169(4) 5_656 . ?
C42 C42 S2 4.0(14) 5_656 . ?
F4 C42 S2 113.0(11) 6_556 . ?
F4 C42 S2 113.0(11) . . ?
F3 C42 S2 114.0(17) . . ?
O3 C42 S2 123.5(19) 5_656 . ?
O4 C42 S2 119.7(13) 5_656 . ?
O4 C42 S2 119.7(13) 2_655 . ?
C43 S3 O6 87(2) 6_556 . ?
F6 S3 O6 152.6(13) 6_556 . ?
F7 S3 O6 47.8(10) 6_556 . ?
C43 S3 O5 110(2) 6_556 . ?
F6 S3 O5 44.1(13) 6_556 . ?
F7 S3 O5 84.7(11) 6_556 . ?
O6 S3 O5 128.7(10) . . ?
F5 S3 O5 172.4(11) 6_556 . ?
C43 S3 O7 105(3) 6_556 . ?
F6 S3 O7 62.3(14) 6_556 . ?
F7 S3 O7 160.2(11) 6_556 . ?
O6 S3 O7 114.9(10) . . ?
F5 S3 O7 67.8(9) 6_556 . ?
O5 S3 O7 106.5(9) . . ?
C43 S3 C43 19.3(19) 6_556 . ?
F6 S3 C43 101.8(12) 6_556 . ?
F7 S3 C43 91.8(10) 6_556 . ?
O6 S3 C43 105.0(8) . . ?
F5 S3 C43 84.2(9) 6_556 . ?
O5 S3 C43 92.6(8) . . ?
O7 S3 C43 103.8(9) . . ?
O5 F6 C43 89.6(14) 6_556 . ?
S3 F6 C43 16.5(8) 6_556 . ?
O6 F7 C43 71.6(12) 6_556 . ?
S3 F7 C43 19.3(7) 6_556 . ?
F6 O5 S3 45.9(8) 6_556 . ?
F6 O5 C43 52.6(9) 6_556 6_556 ?
S3 O5 C43 14.1(6) . 6_556 ?
F7 O6 S3 62.0(9) 6_556 . ?
F5 O6 S3 62.1(8) 6_556 . ?
F7 O6 C43 62.4(10) 6_556 6_556 ?
F5 O6 C43 56.0(9) 6_556 6_556 ?
S3 O6 C43 18.0(7) . 6_556 ?
F6 O7 S3 43.5(6) 6_556 . ?
F6 O7 C43 51.4(7) 6_556 6_556 ?
S3 O7 C43 14.8(6) . 6_556 ?
F5 O7 C43 47.0(7) 6_556 6_556 ?
S3 C43 F5 94(3) 6_556 . ?
S3 C43 F7 75(3) 6_556 . ?
F5 C43 F7 105.7(14) . . ?
S3 C43 F6 44(2) 6_556 . ?
F5 C43 F6 116.1(15) . . ?
F7 C43 F6 104.3(14) . . ?
S3 C43 C43 155(2) 6_556 6_556 ?
F5 C43 C43 106.7(9) . 6_556 ?
F7 C43 C43 111.2(9) . 6_556 ?
F6 C43 C43 112.7(9) . 6_556 ?
O6 C43 C43 127.9(10) 6_556 6_556 ?
S3 C43 S3 149(3) 6_556 . ?
F5 C43 S3 111.4(12) . . ?
F7 C43 S3 112.1(12) . . ?
F6 C43 S3 107.2(11) . . ?
O6 C43 S3 132.8(14) 6_556 . ?
C43 C43 S3 5.7(6) 6_556 . ?
O7 C43 S3 114.7(13) 6_556 . ?
O5 C43 S3 95.9(13) 6_556 . ?
C1 N1 C5 118.5(5) . . ?
C1 N1 Rh1 129.3(4) . . ?
C5 N1 Rh1 112.2(3) . . ?
C6 N2 C10 123.4(5) . . ?
C6 N2 Rh1 120.6(4) . . ?
C10 N2 Rh1 116.0(3) . . ?
C15 N3 C11 123.8(5) . . ?
C15 N3 Rh1 120.1(3) . . ?
C11 N3 Rh1 116.1(4) . . ?
C20 N4 C16 117.4(5) . . ?
C20 N4 Rh1 129.9(4) . . ?
C16 N4 Rh1 112.7(3) . . ?
C21 N5 C25 118.5(5) . . ?
C21 N5 Rh2 129.4(4) . . ?
C25 N5 Rh2 112.1(4) . . ?
C26 N6 C30 123.0(5) . . ?
C26 N6 Rh2 120.2(4) . . ?
C30 N6 Rh2 116.8(4) . . ?
C35 N7 C31 122.0(5) . . ?
C35 N7 Rh2 120.7(4) . . ?
C31 N7 Rh2 117.3(4) . . ?
C40 N8 C36 117.9(5) . . ?
C40 N8 Rh2 129.4(4) . . ?
C36 N8 Rh2 112.6(3) . . ?
N1 C1 C2 121.7(5) . . ?
N1 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C3 C2 C1 119.5(5) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 119.8(5) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 119.3(6) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 121.2(5) . . ?
N1 C5 C6 115.0(5) . . ?
C4 C5 C6 123.7(5) . . ?
N2 C6 C7 119.8(5) . . ?
N2 C6 C5 112.6(5) . . ?
C7 C6 C5 127.5(5) . . ?
C8 C7 C6 117.8(5) . . ?
C8 C7 H7 121.1 . . ?
C6 C7 H7 121.1 . . ?
C7 C8 C9 121.7(5) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C10 C9 C8 118.5(5) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
N2 C10 C9 118.8(5) . . ?
N2 C10 C11 113.1(4) . . ?
C9 C10 C11 128.1(5) . . ?
N3 C11 C12 118.2(5) . . ?
N3 C11 C10 112.9(5) . . ?
C12 C11 C10 129.0(5) . . ?
C13 C12 C11 119.4(5) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 121.1(5) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 118.6(5) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
N3 C15 C14 118.9(5) . . ?
N3 C15 C16 112.7(4) . . ?
C14 C15 C16 128.3(5) . . ?
N4 C16 C17 122.1(5) . . ?
N4 C16 C15 114.9(4) . . ?
C17 C16 C15 123.0(5) . . ?
C16 C17 C18 119.3(6) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C19 C18 C17 118.6(5) . . ?
C19 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
C18 C19 C20 119.9(5) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
N4 C20 C19 122.7(5) . . ?
N4 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
N5 C21 C22 121.2(6) . . ?
N5 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C23 C22 C21 119.8(7) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 119.9(6) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C25 118.6(6) . . ?
C23 C24 H24 120.7 . . ?
C25 C24 H24 120.7 . . ?
N5 C25 C24 122.1(6) . . ?
N5 C25 C26 116.0(5) . . ?
C24 C25 C26 122.0(6) . . ?
N6 C26 C27 118.1(6) . . ?
N6 C26 C25 112.0(5) . . ?
C27 C26 C25 129.9(6) . . ?
C28 C27 C26 118.9(6) . . ?
C28 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
C29 C28 C27 121.4(6) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C28 C29 C30 119.6(7) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
N6 C30 C29 119.1(6) . . ?
N6 C30 C31 112.6(5) . . ?
C29 C30 C31 128.3(6) . . ?
N7 C31 C32 118.9(6) . . ?
N7 C31 C30 112.1(5) . . ?
C32 C31 C30 128.9(5) . . ?
C33 C32 C31 119.0(6) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 121.8(5) . . ?
C32 C33 H33 119.1 . . ?
C34 C33 H33 119.1 . . ?
C33 C34 C35 118.5(6) . . ?
C33 C34 H34 120.7 . . ?
C35 C34 H34 120.7 . . ?
N7 C35 C34 119.6(5) . . ?
N7 C35 C36 111.7(4) . . ?
C34 C35 C36 128.7(5) . . ?
N8 C36 C37 122.2(5) . . ?
N8 C36 C35 115.6(5) . . ?
C37 C36 C35 122.3(5) . . ?
C38 C37 C36 118.6(5) . . ?
C38 C37 H37 120.7 . . ?
C36 C37 H37 120.7 . . ?
C39 C38 C37 119.0(5) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C40 C39 C38 118.9(6) . . ?
C40 C39 H39 120.6 . . ?
C38 C39 H39 120.6 . . ?
N8 C40 C39 123.4(5) . . ?
N8 C40 H40 118.3 . . ?
C39 C40 H40 118.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N2 1.929(4) . ?
Rh1 N3 1.931(4) . ?
Rh1 N1 2.081(4) . ?
Rh1 N4 2.082(4) . ?
Rh2 N7 1.925(4) . ?
Rh2 N6 1.932(4) . ?
Rh2 N5 2.076(5) . ?
Rh2 N8 2.085(4) . ?
S1 O1 1.424(4) . ?
S1 O2 1.433(4) 6_556 ?
S1 O2 1.433(4) . ?
S1 C41 1.789(8) . ?
F1 C41 1.339(6) . ?
F2 C41 1.341(5) . ?
S2 C42 0.492(16) 5_656 ?
S2 F4 1.164(16) 2_655 ?
S2 F4 1.164(16) 5_656 ?
S2 F3 1.30(2) 5_656 ?
S2 O3 1.397(17) . ?
S2 O4 1.412(15) 6_556 ?
S2 O4 1.412(15) . ?
S2 C42 1.782(16) . ?
S2 S2 2.267(10) 5_656 ?
F3 O3 0.30(6) 5_656 ?
F3 C42 1.317(17) . ?
F4 O4 0.44(3) 2_655 ?
F4 C42 1.307(13) . ?
O3 C42 1.51(4) 5_656 ?
O4 C42 1.64(2) 5_656 ?
C42 C42 1.30(3) 5_656 ?
S3 C43 0.430(16) 6_556 ?
S3 F6 1.044(13) 6_556 ?
S3 F7 1.255(14) 6_556 ?
S3 O6 1.339(11) . ?
S3 F5 1.379(15) 6_556 ?
S3 O5 1.453(10) . ?
S3 O7 1.460(12) . ?
S3 C43 1.818(13) . ?
S3 S3 2.198(12) 6_556 ?
F5 C43 1.280(16) . ?
F5 O6 1.34(2) 6_556 ?
F5 O7 1.59(2) 6_556 ?
F6 O5 1.01(2) 6_556 ?
F6 C43 1.312(15) . ?
F6 O7 1.34(2) 6_556 ?
F7 O6 1.05(2) 6_556 ?
F7 C43 1.296(16) . ?
O5 C43 1.652(18) 6_556 ?
O6 C43 1.387(19) 6_556 ?
O7 C43 1.626(19) 6_556 ?
C43 C43 1.42(3) 6_556 ?
N1 C1 1.350(7) . ?
N1 C5 1.377(7) . ?
N2 C6 1.333(7) . ?
N2 C10 1.365(6) . ?
N3 C15 1.348(7) . ?
N3 C11 1.365(6) . ?
N4 C20 1.341(7) . ?
N4 C16 1.374(7) . ?
N5 C21 1.350(8) . ?
N5 C25 1.380(7) . ?
N6 C26 1.358(7) . ?
N6 C30 1.364(8) . ?
N7 C35 1.349(7) . ?
N7 C31 1.366(7) . ?
N8 C40 1.342(7) . ?
N8 C36 1.357(7) . ?
C1 C2 1.397(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.363(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.472(8) . ?
C6 C7 1.394(7) . ?
C7 C8 1.387(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.391(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.384(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.464(8) . ?
C11 C12 1.393(7) . ?
C12 C13 1.377(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.395(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.394(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.472(7) . ?
C16 C17 1.382(8) . ?
C17 C18 1.384(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.376(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.380(8) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.400(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.378(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.462(9) . ?
C26 C27 1.411(8) . ?
C27 C28 1.375(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.372(10) . ?
C28 H28 0.9500 . ?
C29 C30 1.375(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.470(9) . ?
C31 C32 1.396(8) . ?
C32 C33 1.360(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.374(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.392(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.480(8) . ?
C36 C37 1.396(7) . ?
C37 C38 1.393(9) . ?
C37 H37 0.9500 . ?
C38 C39 1.389(9) . ?
C38 H38 0.9500 . ?
C39 C40 1.373(8) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 S1 C41 F1 180.0 . . . . ?
O2 S1 C41 F1 -59.29(16) 6_556 . . . ?
O2 S1 C41 F1 59.29(16) . . . . ?
O1 S1 C41 F2 60.0(3) . . . . ?
O2 S1 C41 F2 -179.3(3) 6_556 . . . ?
O2 S1 C41 F2 -60.7(4) . . . . ?
O1 S1 C41 F2 -60.0(3) . . . 6_556 ?
O2 S1 C41 F2 60.7(4) 6_556 . . 6_556 ?
O2 S1 C41 F2 179.3(3) . . . 6_556 ?
C42 S2 O3 F3 0.0 5_656 . . 5_656 ?
F4 S2 O3 F3 -97.6(12) 2_655 . . 5_656 ?
F4 S2 O3 F3 97.6(12) 5_656 . . 5_656 ?
O4 S2 O3 F3 114.2(17) 6_556 . . 5_656 ?
O4 S2 O3 F3 -114.2(17) . . . 5_656 ?
C42 S2 O3 F3 0.0 . . . 5_656 ?
S2 S2 O3 F3 0.0 5_656 . . 5_656 ?
F4 S2 O3 C42 -97.6(12) 2_655 . . 5_656 ?
F4 S2 O3 C42 97.6(12) 5_656 . . 5_656 ?
F3 S2 O3 C42 0.0 5_656 . . 5_656 ?
O4 S2 O3 C42 114.2(17) 6_556 . . 5_656 ?
O4 S2 O3 C42 -114.2(17) . . . 5_656 ?
C42 S2 O3 C42 0.0 . . . 5_656 ?
S2 S2 O3 C42 0.0 5_656 . . 5_656 ?
C42 S2 O4 F4 -33(9) 5_656 . . 2_655 ?
F4 S2 O4 F4 -142(8) 5_656 . . 2_655 ?
F3 S2 O4 F4 60(8) 5_656 . . 2_655 ?
O3 S2 O4 F4 73(8) . . . 2_655 ?
O4 S2 O4 F4 -151(7) 6_556 . . 2_655 ?
C42 S2 O4 F4 -42(8) . . . 2_655 ?
S2 S2 O4 F4 -40(8) 5_656 . . 2_655 ?
F4 S2 O4 C42 33(9) 2_655 . . 5_656 ?
F4 S2 O4 C42 -110(3) 5_656 . . 5_656 ?
F3 S2 O4 C42 92(4) 5_656 . . 5_656 ?
O3 S2 O4 C42 105(4) . . . 5_656 ?
O4 S2 O4 C42 -119(4) 6_556 . . 5_656 ?
C42 S2 O4 C42 -9(3) . . . 5_656 ?
S2 S2 O4 C42 -7(3) 5_656 . . 5_656 ?
O4 F4 C42 S2 -40(10) 2_655 . . 5_656 ?
O4 F4 C42 C42 126(10) 2_655 . . 5_656 ?
S2 F4 C42 C42 165(5) 5_656 . . 5_656 ?
O4 F4 C42 F4 2(11) 2_655 . . 6_556 ?
S2 F4 C42 F4 42(3) 5_656 . . 6_556 ?
O4 F4 C42 F3 -107(10) 2_655 . . . ?
S2 F4 C42 F3 -67(3) 5_656 . . . ?
O4 F4 C42 O3 -99(10) 2_655 . . 5_656 ?
S2 F4 C42 O3 -59(3) 5_656 . . 5_656 ?
O4 F4 C42 O4 2(9) 2_655 . . 5_656 ?
S2 F4 C42 O4 41(2) 5_656 . . 5_656 ?
S2 F4 C42 O4 40(10) 5_656 . . 2_655 ?
O4 F4 C42 S2 129(9) 2_655 . . . ?
S2 F4 C42 S2 169(4) 5_656 . . . ?
O3 F3 C42 S2 0.0 5_656 . . 5_656 ?
O3 F3 C42 C42 180.0 5_656 . . 5_656 ?
S2 F3 C42 C42 180.0 5_656 . . 5_656 ?
O3 F3 C42 F4 -57.2(13) 5_656 . . 6_556 ?
S2 F3 C42 F4 -57.2(13) 5_656 . . 6_556 ?
O3 F3 C42 F4 57.2(13) 5_656 . . . ?
S2 F3 C42 F4 57.2(13) 5_656 . . . ?
S2 F3 C42 O3 0.0 5_656 . . 5_656 ?
O3 F3 C42 O4 -46.3(13) 5_656 . . 5_656 ?
S2 F3 C42 O4 -46.3(13) 5_656 . . 5_656 ?
O3 F3 C42 O4 46.3(13) 5_656 . . 2_655 ?
S2 F3 C42 O4 46.3(13) 5_656 . . 2_655 ?
O3 F3 C42 S2 180.0 5_656 . . . ?
S2 F3 C42 S2 180.0 5_656 . . . ?
C42 S2 C42 S2 0.0 5_656 . . 5_656 ?
F4 S2 C42 S2 113.1(11) 2_655 . . 5_656 ?
F4 S2 C42 S2 -113.1(11) 5_656 . . 5_656 ?
F3 S2 C42 S2 0.0 5_656 . . 5_656 ?
O3 S2 C42 S2 0.0 . . . 5_656 ?
O4 S2 C42 S2 -123.8(15) 6_556 . . 5_656 ?
O4 S2 C42 S2 123.8(15) . . . 5_656 ?
F4 S2 C42 C42 113.1(11) 2_655 . . 5_656 ?
F4 S2 C42 C42 -113.1(11) 5_656 . . 5_656 ?
F3 S2 C42 C42 0.0 5_656 . . 5_656 ?
O3 S2 C42 C42 0.0 . . . 5_656 ?
O4 S2 C42 C42 -123.8(15) 6_556 . . 5_656 ?
O4 S2 C42 C42 123.8(15) . . . 5_656 ?
S2 S2 C42 C42 0.0 5_656 . . 5_656 ?
C42 S2 C42 F4 62.9(16) 5_656 . . 6_556 ?
F4 S2 C42 F4 176.0(14) 2_655 . . 6_556 ?
F4 S2 C42 F4 -50(2) 5_656 . . 6_556 ?
F3 S2 C42 F4 62.9(16) 5_656 . . 6_556 ?
O3 S2 C42 F4 62.9(16) . . . 6_556 ?
O4 S2 C42 F4 -60.9(13) 6_556 . . 6_556 ?
O4 S2 C42 F4 -173(3) . . . 6_556 ?
S2 S2 C42 F4 62.9(16) 5_656 . . 6_556 ?
C42 S2 C42 F4 -62.9(16) 5_656 . . . ?
F4 S2 C42 F4 50(2) 2_655 . . . ?
F4 S2 C42 F4 -176.0(14) 5_656 . . . ?
F3 S2 C42 F4 -62.9(16) 5_656 . . . ?
O3 S2 C42 F4 -62.9(16) . . . . ?
O4 S2 C42 F4 173(3) 6_556 . . . ?
O4 S2 C42 F4 60.9(13) . . . . ?
S2 S2 C42 F4 -62.9(16) 5_656 . . . ?
C42 S2 C42 F3 180.0 5_656 . . . ?
F4 S2 C42 F3 -66.9(11) 2_655 . . . ?
F4 S2 C42 F3 66.9(11) 5_656 . . . ?
F3 S2 C42 F3 180.0 5_656 . . . ?
O3 S2 C42 F3 180.0 . . . . ?
O4 S2 C42 F3 56.2(15) 6_556 . . . ?
O4 S2 C42 F3 -56.2(15) . . . . ?
S2 S2 C42 F3 180.0 5_656 . . . ?
C42 S2 C42 O3 180.0 5_656 . . 5_656 ?
F4 S2 C42 O3 -66.9(11) 2_655 . . 5_656 ?
F4 S2 C42 O3 66.9(11) 5_656 . . 5_656 ?
F3 S2 C42 O3 180.0 5_656 . . 5_656 ?
O3 S2 C42 O3 180.0 . . . 5_656 ?
O4 S2 C42 O3 56.2(15) 6_556 . . 5_656 ?
O4 S2 C42 O3 -56.2(15) . . . 5_656 ?
S2 S2 C42 O3 180.0 5_656 . . 5_656 ?
C42 S2 C42 O4 53.2(16) 5_656 . . 5_656 ?
F4 S2 C42 O4 166(3) 2_655 . . 5_656 ?
F4 S2 C42 O4 -59.9(11) 5_656 . . 5_656 ?
F3 S2 C42 O4 53.2(16) 5_656 . . 5_656 ?
O3 S2 C42 O4 53.2(16) . . . 5_656 ?
O4 S2 C42 O4 -71(3) 6_556 . . 5_656 ?
O4 S2 C42 O4 177.0(11) . . . 5_656 ?
S2 S2 C42 O4 53.2(16) 5_656 . . 5_656 ?
C42 S2 C42 O4 -53.2(16) 5_656 . . 2_655 ?
F4 S2 C42 O4 59.9(11) 2_655 . . 2_655 ?
F4 S2 C42 O4 -166(3) 5_656 . . 2_655 ?
F3 S2 C42 O4 -53.2(16) 5_656 . . 2_655 ?
O3 S2 C42 O4 -53.2(16) . . . 2_655 ?
O4 S2 C42 O4 -177.0(11) 6_556 . . 2_655 ?
O4 S2 C42 O4 71(3) . . . 2_655 ?
S2 S2 C42 O4 -53.2(16) 5_656 . . 2_655 ?
C43 S3 O5 F6 113(3) 6_556 . . 6_556 ?
F7 S3 O5 F6 -164(2) 6_556 . . 6_556 ?
O6 S3 O5 F6 -144.0(19) . . . 6_556 ?
O7 S3 O5 F6 -0.8(19) . . . 6_556 ?
C43 S3 O5 F6 104.3(18) . . . 6_556 ?
S3 S3 O5 F6 102.0(17) 6_556 . . 6_556 ?
F6 S3 O5 C43 -113(3) 6_556 . . 6_556 ?
F7 S3 O5 C43 83(3) 6_556 . . 6_556 ?
O6 S3 O5 C43 104(3) . . . 6_556 ?
O7 S3 O5 C43 -113(3) . . . 6_556 ?
C43 S3 O5 C43 -8(2) . . . 6_556 ?
S3 S3 O5 C43 -10(3) 6_556 . . 6_556 ?
C43 S3 O6 F7 86(3) 6_556 . . 6_556 ?
F6 S3 O6 F7 -91(3) 6_556 . . 6_556 ?
F5 S3 O6 F7 151.9(17) 6_556 . . 6_556 ?
O5 S3 O6 F7 -27.6(17) . . . 6_556 ?
O7 S3 O6 F7 -168.2(14) . . . 6_556 ?
C43 S3 O6 F7 78.5(14) . . . 6_556 ?
S3 S3 O6 F7 75.9(13) 6_556 . . 6_556 ?
C43 S3 O6 F5 -65(3) 6_556 . . 6_556 ?
F6 S3 O6 F5 117(3) 6_556 . . 6_556 ?
F7 S3 O6 F5 -151.9(17) 6_556 . . 6_556 ?
O5 S3 O6 F5 -179.5(13) . . . 6_556 ?
O7 S3 O6 F5 39.9(12) . . . 6_556 ?
C43 S3 O6 F5 -73.4(11) . . . 6_556 ?
S3 S3 O6 F5 -76.0(9) 6_556 . . 6_556 ?
F6 S3 O6 C43 -177(5) 6_556 . . 6_556 ?
F7 S3 O6 C43 -86(3) 6_556 . . 6_556 ?
F5 S3 O6 C43 65(3) 6_556 . . 6_556 ?
O5 S3 O6 C43 -114(3) . . . 6_556 ?
O7 S3 O6 C43 105(3) . . . 6_556 ?
C43 S3 O6 C43 -8(2) . . . 6_556 ?
S3 S3 O6 C43 -11(3) 6_556 . . 6_556 ?
C43 S3 O7 F6 -116(3) 6_556 . . 6_556 ?
F7 S3 O7 F6 123(4) 6_556 . . 6_556 ?
O6 S3 O7 F6 149.6(15) . . . 6_556 ?
F5 S3 O7 F6 -174.0(15) 6_556 . . 6_556 ?
O5 S3 O7 F6 0.7(15) . . . 6_556 ?
C43 S3 O7 F6 -96.3(14) . . . 6_556 ?
S3 S3 O7 F6 -90.5(12) 6_556 . . 6_556 ?
C43 S3 O7 F5 58(3) 6_556 . . 6_556 ?
F6 S3 O7 F5 174.0(15) 6_556 . . 6_556 ?
F7 S3 O7 F5 -63(3) 6_556 . . 6_556 ?
O6 S3 O7 F5 -36.4(12) . . . 6_556 ?
O5 S3 O7 F5 174.7(12) . . . 6_556 ?
C43 S3 O7 F5 77.7(10) . . . 6_556 ?
S3 S3 O7 F5 83.6(8) 6_556 . . 6_556 ?
F6 S3 O7 C43 116(3) 6_556 . . 6_556 ?
F7 S3 O7 C43 -121(5) 6_556 . . 6_556 ?
O6 S3 O7 C43 -94(3) . . . 6_556 ?
F5 S3 O7 C43 -58(3) 6_556 . . 6_556 ?
O5 S3 O7 C43 117(2) . . . 6_556 ?
C43 S3 O7 C43 20(2) . . . 6_556 ?
S3 S3 O7 C43 26(3) 6_556 . . 6_556 ?
O6 F5 C43 S3 69(3) 6_556 . . 6_556 ?
O7 F5 C43 S3 -54(2) 6_556 . . 6_556 ?
O6 F5 C43 F7 -6.1(13) 6_556 . . . ?
S3 F5 C43 F7 -76(3) 6_556 . . . ?
O7 F5 C43 F7 -129.9(14) 6_556 . . . ?
O6 F5 C43 F6 108.9(16) 6_556 . . . ?
S3 F5 C43 F6 39(2) 6_556 . . . ?
O7 F5 C43 F6 -14.8(13) 6_556 . . . ?
S3 F5 C43 O6 -69(3) 6_556 . . 6_556 ?
O7 F5 C43 O6 -123.7(14) 6_556 . . 6_556 ?
O6 F5 C43 C43 -124.6(10) 6_556 . . 6_556 ?
S3 F5 C43 C43 166(3) 6_556 . . 6_556 ?
O7 F5 C43 C43 111.7(9) 6_556 . . 6_556 ?
O6 F5 C43 O7 123.7(14) 6_556 . . 6_556 ?
S3 F5 C43 O7 54(2) 6_556 . . 6_556 ?
O6 F5 C43 O5 82(3) 6_556 . . 6_556 ?
S3 F5 C43 O5 12.7(19) 6_556 . . 6_556 ?
O7 F5 C43 O5 -42(3) 6_556 . . 6_556 ?
O6 F5 C43 S3 -128.1(15) 6_556 . . . ?
S3 F5 C43 S3 162(4) 6_556 . . . ?
O7 F5 C43 S3 108.2(14) 6_556 . . . ?
O6 F7 C43 S3 -83(3) 6_556 . . 6_556 ?
O6 F7 C43 F5 7.4(15) 6_556 . . . ?
S3 F7 C43 F5 90(3) 6_556 . . . ?
O6 F7 C43 F6 -115.5(18) 6_556 . . . ?
S3 F7 C43 F6 -33(2) 6_556 . . . ?
S3 F7 C43 O6 83(3) 6_556 . . 6_556 ?
O6 F7 C43 C43 122.8(13) 6_556 . . 6_556 ?
S3 F7 C43 C43 -154(3) 6_556 . . 6_556 ?
O6 F7 C43 O7 -63(2) 6_556 . . 6_556 ?
S3 F7 C43 O7 20.1(18) 6_556 . . 6_556 ?
O6 F7 C43 O5 -140.5(16) 6_556 . . 6_556 ?
S3 F7 C43 O5 -58(2) 6_556 . . 6_556 ?
O6 F7 C43 S3 128.9(16) 6_556 . . . ?
S3 F7 C43 S3 -148(3) 6_556 . . . ?
O5 F6 C43 S3 -91(3) 6_556 . . 6_556 ?
O7 F6 C43 S3 83(4) 6_556 . . 6_556 ?
O5 F6 C43 F5 -158(2) 6_556 . . . ?
S3 F6 C43 F5 -67(3) 6_556 . . . ?
O7 F6 C43 F5 16.8(15) 6_556 . . . ?
O5 F6 C43 F7 -41.9(18) 6_556 . . . ?
S3 F6 C43 F7 49(3) 6_556 . . . ?
O7 F6 C43 F7 132.6(15) 6_556 . . . ?
O5 F6 C43 O6 -89(2) 6_556 . . 6_556 ?
S3 F6 C43 O6 2(3) 6_556 . . 6_556 ?
O7 F6 C43 O6 85.1(17) 6_556 . . 6_556 ?
O5 F6 C43 C43 78.8(17) 6_556 . . 6_556 ?
S3 F6 C43 C43 170(4) 6_556 . . 6_556 ?
O7 F6 C43 C43 -106.6(12) 6_556 . . 6_556 ?
O5 F6 C43 O7 -175(2) 6_556 . . 6_556 ?
S3 F6 C43 O7 -83(4) 6_556 . . 6_556 ?
S3 F6 C43 O5 91(3) 6_556 . . 6_556 ?
O7 F6 C43 O5 175(2) 6_556 . . 6_556 ?
O5 F6 C43 S3 77(2) 6_556 . . . ?
S3 F6 C43 S3 168(4) 6_556 . . . ?
O7 F6 C43 S3 -108.4(15) 6_556 . . . ?
C43 S3 C43 S3 179.98(8) 6_556 . . 6_556 ?
F6 S3 C43 S3 20(7) 6_556 . . 6_556 ?
F7 S3 C43 S3 -109(6) 6_556 . . 6_556 ?
O6 S3 C43 S3 -155(6) . . . 6_556 ?
F5 S3 C43 S3 149(6) 6_556 . . 6_556 ?
O5 S3 C43 S3 -24(7) . . . 6_556 ?
O7 S3 C43 S3 84(7) . . . 6_556 ?
C43 S3 C43 F5 36(7) 6_556 . . . ?
F6 S3 C43 F5 -124.2(16) 6_556 . . . ?
F7 S3 C43 F5 107.4(14) 6_556 . . . ?
O6 S3 C43 F5 60.9(16) . . . . ?
F5 S3 C43 F5 5.3(11) 6_556 . . . ?
O5 S3 C43 F5 -167.8(13) . . . . ?
O7 S3 C43 F5 -60.1(15) . . . . ?
S3 S3 C43 F5 -144(7) 6_556 . . . ?
C43 S3 C43 F7 -82(7) 6_556 . . . ?
F6 S3 C43 F7 117.6(16) 6_556 . . . ?
F7 S3 C43 F7 -10.7(12) 6_556 . . . ?
O6 S3 C43 F7 -57.3(15) . . . . ?
F5 S3 C43 F7 -112.9(14) 6_556 . . . ?
O5 S3 C43 F7 74.1(14) . . . . ?
O7 S3 C43 F7 -178.3(13) . . . . ?
S3 S3 C43 F7 98(7) 6_556 . . . ?
C43 S3 C43 F6 164(6) 6_556 . . . ?
F6 S3 C43 F6 3.8(14) 6_556 . . . ?
F7 S3 C43 F6 -124.6(15) 6_556 . . . ?
O6 S3 C43 F6 -171.2(14) . . . . ?
F5 S3 C43 F6 133.3(14) 6_556 . . . ?
O5 S3 C43 F6 -39.8(15) . . . . ?
O7 S3 C43 F6 67.8(15) . . . . ?
S3 S3 C43 F6 -16(6) 6_556 . . . ?
C43 S3 C43 O6 -32(8) 6_556 . . 6_556 ?
F6 S3 C43 O6 167.5(19) 6_556 . . 6_556 ?
F7 S3 C43 O6 39(2) 6_556 . . 6_556 ?
O6 S3 C43 O6 -7.4(19) . . . 6_556 ?
F5 S3 C43 O6 -63(2) 6_556 . . 6_556 ?
O5 S3 C43 O6 123.9(18) . . . 6_556 ?
O7 S3 C43 O6 -128.4(19) . . . 6_556 ?
S3 S3 C43 O6 148(8) 6_556 . . 6_556 ?
F6 S3 C43 C43 -160(7) 6_556 . . 6_556 ?
F7 S3 C43 C43 71(6) 6_556 . . 6_556 ?
O6 S3 C43 C43 25(6) . . . 6_556 ?
F5 S3 C43 C43 -31(6) 6_556 . . 6_556 ?
O5 S3 C43 C43 156(7) . . . 6_556 ?
O7 S3 C43 C43 -96(7) . . . 6_556 ?
S3 S3 C43 C43 -179.98(8) 6_556 . . 6_556 ?
C43 S3 C43 O7 107(6) 6_556 . . 6_556 ?
F6 S3 C43 O7 -52.9(19) 6_556 . . 6_556 ?
F7 S3 C43 O7 178.7(13) 6_556 . . 6_556 ?
O6 S3 C43 O7 132.1(13) . . . 6_556 ?
F5 S3 C43 O7 76.5(13) 6_556 . . 6_556 ?
O5 S3 C43 O7 -96.5(14) . . . 6_556 ?
O7 S3 C43 O7 11.1(12) . . . 6_556 ?
S3 S3 C43 O7 -73(6) 6_556 . . 6_556 ?
C43 S3 C43 O5 -159(6) 6_556 . . 6_556 ?
F6 S3 C43 O5 40.7(16) 6_556 . . 6_556 ?
F7 S3 C43 O5 -87.7(12) 6_556 . . 6_556 ?
O6 S3 C43 O5 -134.2(10) . . . 6_556 ?
F5 S3 C43 O5 170.2(10) 6_556 . . 6_556 ?
O5 S3 C43 O5 -2.9(8) . . . 6_556 ?
O7 S3 C43 O5 104.7(11) . . . 6_556 ?
S3 S3 C43 O5 21(6) 6_556 . . 6_556 ?
C5 N1 C1 C2 0.0 . . . . ?
Rh1 N1 C1 C2 180.0 . . . . ?
N1 C1 C2 C3 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C1 N1 C5 C4 0.0 . . . . ?
Rh1 N1 C5 C4 180.0 . . . . ?
C1 N1 C5 C6 180.0 . . . . ?
Rh1 N1 C5 C6 0.0 . . . . ?
C3 C4 C5 N1 0.0 . . . . ?
C3 C4 C5 C6 180.0 . . . . ?
C10 N2 C6 C7 0.0 . . . . ?
Rh1 N2 C6 C7 180.0 . . . . ?
C10 N2 C6 C5 180.0 . . . . ?
Rh1 N2 C6 C5 0.0 . . . . ?
N1 C5 C6 N2 0.0 . . . . ?
C4 C5 C6 N2 180.0 . . . . ?
N1 C5 C6 C7 180.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
N2 C6 C7 C8 0.0 . . . . ?
C5 C6 C7 C8 180.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C6 N2 C10 C9 0.0 . . . . ?
Rh1 N2 C10 C9 180.0 . . . . ?
C6 N2 C10 C11 180.0 . . . . ?
Rh1 N2 C10 C11 0.0 . . . . ?
C8 C9 C10 N2 0.0 . . . . ?
C8 C9 C10 C11 180.0 . . . . ?
C15 N3 C11 C12 0.0 . . . . ?
Rh1 N3 C11 C12 180.0 . . . . ?
C15 N3 C11 C10 180.0 . . . . ?
Rh1 N3 C11 C10 0.0 . . . . ?
N2 C10 C11 N3 0.0 . . . . ?
C9 C10 C11 N3 180.0 . . . . ?
N2 C10 C11 C12 180.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
N3 C11 C12 C13 0.0 . . . . ?
C10 C11 C12 C13 180.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C11 N3 C15 C14 0.0 . . . . ?
Rh1 N3 C15 C14 180.0 . . . . ?
C11 N3 C15 C16 180.0 . . . . ?
Rh1 N3 C15 C16 0.0 . . . . ?
C13 C14 C15 N3 0.0 . . . . ?
C13 C14 C15 C16 180.0 . . . . ?
C20 N4 C16 C17 0.0 . . . . ?
Rh1 N4 C16 C17 180.0 . . . . ?
C20 N4 C16 C15 180.0 . . . . ?
Rh1 N4 C16 C15 0.0 . . . . ?
N3 C15 C16 N4 0.0 . . . . ?
C14 C15 C16 N4 180.0 . . . . ?
N3 C15 C16 C17 180.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
N4 C16 C17 C18 0.0 . . . . ?
C15 C16 C17 C18 180.0 . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C16 N4 C20 C19 0.0 . . . . ?
Rh1 N4 C20 C19 180.0 . . . . ?
C18 C19 C20 N4 0.0 . . . . ?
C25 N5 C21 C22 0.0 . . . . ?
Rh2 N5 C21 C22 180.0 . . . . ?
N5 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C21 N5 C25 C24 0.0 . . . . ?
Rh2 N5 C25 C24 180.0 . . . . ?
C21 N5 C25 C26 180.0 . . . . ?
Rh2 N5 C25 C26 0.0 . . . . ?
C23 C24 C25 N5 0.0 . . . . ?
C23 C24 C25 C26 180.0 . . . . ?
C30 N6 C26 C27 0.0 . . . . ?
Rh2 N6 C26 C27 180.0 . . . . ?
C30 N6 C26 C25 180.0 . . . . ?
Rh2 N6 C26 C25 0.0 . . . . ?
N5 C25 C26 N6 0.0 . . . . ?
C24 C25 C26 N6 180.0 . . . . ?
N5 C25 C26 C27 180.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
N6 C26 C27 C28 0.0 . . . . ?
C25 C26 C27 C28 180.0 . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C26 N6 C30 C29 0.0 . . . . ?
Rh2 N6 C30 C29 180.0 . . . . ?
C26 N6 C30 C31 180.0 . . . . ?
Rh2 N6 C30 C31 0.0 . . . . ?
C28 C29 C30 N6 0.0 . . . . ?
C28 C29 C30 C31 180.0 . . . . ?
C35 N7 C31 C32 0.0 . . . . ?
Rh2 N7 C31 C32 180.0 . . . . ?
C35 N7 C31 C30 180.0 . . . . ?
Rh2 N7 C31 C30 0.0 . . . . ?
N6 C30 C31 N7 0.0 . . . . ?
C29 C30 C31 N7 180.0 . . . . ?
N6 C30 C31 C32 180.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
N7 C31 C32 C33 0.0 . . . . ?
C30 C31 C32 C33 180.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C31 N7 C35 C34 0.0 . . . . ?
Rh2 N7 C35 C34 180.0 . . . . ?
C31 N7 C35 C36 180.0 . . . . ?
Rh2 N7 C35 C36 0.0 . . . . ?
C33 C34 C35 N7 0.0 . . . . ?
C33 C34 C35 C36 180.0 . . . . ?
C40 N8 C36 C37 0.0 . . . . ?
Rh2 N8 C36 C37 180.0 . . . . ?
C40 N8 C36 C35 180.0 . . . . ?
Rh2 N8 C36 C35 0.0 . . . . ?
N7 C35 C36 N8 0.0 . . . . ?
C34 C35 C36 N8 180.0 . . . . ?
N7 C35 C36 C37 180.0 . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
N8 C36 C37 C38 0.0 . . . . ?
C35 C36 C37 C38 180.0 . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C36 N8 C40 C39 0.0 . . . . ?
Rh2 N8 C40 C39 180.0 . . . . ?
C38 C39 C40 N8 0.0 . . . . ?
