#------------------------------------------------------------------------------
#$Date: 2021-06-05 19:27:14 +0200 (Sat 05 de Jun de 2021) $
#$Revision: 265876 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/82/7128274.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_7128274
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         'C23 H20 F6 I N5 P Rh'
_chemical_formula_sum            'C23 H20 F6 I N5 P Rh'
_chemical_formula_weight         741.22
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                96.879(5)
_cell_angle_beta                 96.143(9)
_cell_angle_gamma                99.625(8)
_cell_formula_units_Z            2
_cell_length_a                   8.540(3)
_cell_length_b                   11.981(3)
_cell_length_c                   12.495(3)
_cell_measurement_reflns_used    3209
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.40
_cell_measurement_theta_min      3.10
_cell_volume                     1240.8(6)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2014/6 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_av_unetI/netI     0.0935
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10472
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.435
_diffrn_reflns_theta_min         3.122
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.064
_exptl_absorpt_correction_T_max  0.865
_exptl_absorpt_correction_T_min  0.737
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.63
_refine_diff_density_min         -2.01
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.694
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1183
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3831
_reflns_number_total             5326
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1cc01611c2.cif
_cod_data_source_block           200623_RhQpyCH3I
_cod_depositor_comments
'Adding full bibliography for 7128273--7128275.cif.'
_cod_database_code               7128274
_shelxl_version_number           2014/6
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.95465(4) 0.20032(3) 0.06406(2) 0.02629(12) Uani 1 1 d . . . . .
Rh1 Rh 0.85508(4) 0.15316(3) 0.26307(3) 0.01654(12) Uani 1 1 d . . . . .
P1 P 0.42722(16) 0.26850(12) 0.58332(11) 0.0229(3) Uani 1 1 d . . . . .
F1 F 0.6180(4) 0.2964(3) 0.6020(3) 0.0431(9) Uani 1 1 d . . . . .
F2 F 0.4318(4) 0.2152(3) 0.4608(3) 0.0434(9) Uani 1 1 d . . . . .
F3 F 0.4313(4) 0.1472(3) 0.6232(3) 0.0360(8) Uani 1 1 d . . . . .
F4 F 0.2355(4) 0.2397(3) 0.5636(3) 0.0447(9) Uani 1 1 d . . . . .
F5 F 0.4221(5) 0.3245(3) 0.7043(3) 0.0505(10) Uani 1 1 d . . . . .
F6 F 0.4246(4) 0.3910(3) 0.5443(3) 0.0368(8) Uani 1 1 d . . . . .
N1 N 0.9989(5) 0.0295(4) 0.2739(3) 0.0196(9) Uani 1 1 d . . . . .
N2 N 0.7046(5) 0.0181(4) 0.1963(3) 0.0197(9) Uani 1 1 d . . . . .
N3 N 0.6689(5) 0.2240(4) 0.2379(3) 0.0195(9) Uani 1 1 d . . . . .
N4 N 0.9522(5) 0.3222(4) 0.3255(3) 0.0198(9) Uani 1 1 d . . . . .
N38 N 0.7413(10) 0.5482(6) 1.0759(5) 0.071(2) Uani 1 1 d . . . . .
C1 C 0.8010(6) 0.1245(5) 0.4182(4) 0.0233(11) Uani 1 1 d . . . . .
H1C H 0.8652 0.1851 0.4727 0.028 Uiso 1 1 calc R U . . .
H2B H 0.6869 0.1247 0.4217 0.028 Uiso 1 1 calc R U . . .
H3A H 0.8254 0.0503 0.4327 0.028 Uiso 1 1 calc R U . . .
C2 C 1.1492(6) 0.0410(5) 0.3231(4) 0.0230(11) Uani 1 1 d . . . . .
H4 H 1.2024 0.1147 0.3573 0.028 Uiso 1 1 calc R U . . .
C3 C 1.2301(7) -0.0489(5) 0.3263(4) 0.0276(12) Uani 1 1 d . . . . .
H5 H 1.3371 -0.0375 0.3612 0.033 Uiso 1 1 calc R U . . .
C4 C 1.1518(7) -0.1563(5) 0.2775(4) 0.0283(13) Uani 1 1 d . . . . .
H6 H 1.2048 -0.2200 0.2781 0.034 Uiso 1 1 calc R U . . .
C5 C 0.9961(7) -0.1705(5) 0.2279(4) 0.0263(12) Uani 1 1 d . . . . .
H7 H 0.9409 -0.2438 0.1942 0.032 Uiso 1 1 calc R U . . .
C6 C 0.9211(6) -0.0763(4) 0.2277(4) 0.0212(11) Uani 1 1 d . . . . .
C7 C 0.7546(6) -0.0834(5) 0.1794(4) 0.0225(11) Uani 1 1 d . . . . .
C8 C 0.6473(7) -0.1766(5) 0.1235(4) 0.0269(12) Uani 1 1 d . . . . .
H8 H 0.6786 -0.2487 0.1090 0.032 Uiso 1 1 calc R U . . .
C9 C 0.4928(7) -0.1626(5) 0.0892(4) 0.0277(12) Uani 1 1 d . . . . .
H9 H 0.4188 -0.2264 0.0504 0.033 Uiso 1 1 calc R U . . .
C10 C 0.4434(6) -0.0599(5) 0.1094(4) 0.0259(12) Uani 1 1 d . . . . .
H10 H 0.3363 -0.0525 0.0869 0.031 Uiso 1 1 calc R U . . .
C11 C 0.5545(6) 0.0330(5) 0.1637(4) 0.0222(11) Uani 1 1 d . . . . .
C12 C 0.5310(6) 0.1516(5) 0.1896(4) 0.0219(11) Uani 1 1 d . . . . .
C13 C 0.3948(6) 0.1974(5) 0.1678(4) 0.0264(12) Uani 1 1 d . . . . .
H11 H 0.2975 0.1500 0.1336 0.032 Uiso 1 1 calc R U . . .
C14 C 0.4026(6) 0.3130(5) 0.1964(4) 0.0256(12) Uani 1 1 d . . . . .
H12 H 0.3091 0.3449 0.1825 0.031 Uiso 1 1 calc R U . . .
C15 C 0.5441(6) 0.3841(5) 0.2452(4) 0.0250(11) Uani 1 1 d . . . . .
H13 H 0.5479 0.4637 0.2645 0.030 Uiso 1 1 calc R U . . .
C16 C 0.6800(6) 0.3363(4) 0.2652(4) 0.0196(10) Uani 1 1 d . . . . .
C17 C 0.8433(6) 0.3942(4) 0.3121(4) 0.0207(11) Uani 1 1 d . . . . .
C18 C 0.8878(6) 0.5111(5) 0.3384(4) 0.0239(11) Uani 1 1 d . . . . .
H14 H 0.8117 0.5594 0.3272 0.029 Uiso 1 1 calc R U . . .
C19 C 1.0444(6) 0.5573(5) 0.3815(4) 0.0259(12) Uani 1 1 d . . . . .
H15 H 1.0769 0.6376 0.4007 0.031 Uiso 1 1 calc R U . . .
C20 C 1.1531(6) 0.4852(5) 0.3961(4) 0.0240(11) Uani 1 1 d . . . . .
H16 H 1.2613 0.5156 0.4252 0.029 Uiso 1 1 calc R U . . .
C21 C 1.1035(6) 0.3693(5) 0.3682(4) 0.0212(11) Uani 1 1 d . . . . .
H17 H 1.1788 0.3204 0.3795 0.025 Uiso 1 1 calc R U . . .
C22 C 0.8027(9) 0.4463(6) 0.8950(5) 0.0470(17) Uani 1 1 d . . . . .
C23 C 0.7634(9) 0.5024(6) 0.9958(5) 0.0442(16) Uani 1 1 d . . . . .
H28A H 0.8364 0.3750 0.9061 0.013 Uiso 1 1 d . U . . .
H28B H 0.7109 0.4302 0.8396 0.013 Uiso 1 1 d . U . . .
H28C H 0.8887 0.4945 0.8689 0.013 Uiso 1 1 d . 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 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)
;
I I -0.4742 1.8119
;
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)
;
P P 0.1023 0.0942
;
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)
;
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 81.98(18) . . ?
N2 Rh1 N4 161.47(17) . . ?
N3 Rh1 N4 79.49(17) . . ?
N2 Rh1 N1 79.57(17) . . ?
N3 Rh1 N1 161.36(17) . . ?
N4 Rh1 N1 118.94(16) . . ?
N2 Rh1 C1 91.41(19) . . ?
N3 Rh1 C1 91.25(18) . . ?
N4 Rh1 C1 89.14(18) . . ?
N1 Rh1 C1 86.56(18) . . ?
N2 Rh1 I1 92.89(12) . . ?
N3 Rh1 I1 91.90(11) . . ?
N4 Rh1 I1 87.60(11) . . ?
N1 Rh1 I1 91.68(10) . . ?
C1 Rh1 I1 174.98(15) . . ?
F5 P1 F1 90.3(2) . . ?
F5 P1 F2 178.6(2) . . ?
F1 P1 F2 89.8(2) . . ?
F5 P1 F3 90.40(19) . . ?
F1 P1 F3 89.68(19) . . ?
F2 P1 F3 91.0(2) . . ?
F5 P1 F4 90.1(2) . . ?
F1 P1 F4 179.5(2) . . ?
F2 P1 F4 89.8(2) . . ?
F3 P1 F4 90.2(2) . . ?
F5 P1 F6 89.16(19) . . ?
F1 P1 F6 89.86(19) . . ?
F2 P1 F6 89.4(2) . . ?
F3 P1 F6 179.4(2) . . ?
F4 P1 F6 90.28(19) . . ?
C2 N1 C6 118.6(4) . . ?
C2 N1 Rh1 128.9(4) . . ?
C6 N1 Rh1 112.5(3) . . ?
C11 N2 C7 123.7(4) . . ?
C11 N2 Rh1 116.4(3) . . ?
C7 N2 Rh1 119.8(3) . . ?
C16 N3 C12 124.0(4) . . ?
C16 N3 Rh1 120.4(3) . . ?
C12 N3 Rh1 115.6(3) . . ?
C21 N4 C17 118.0(4) . . ?
C21 N4 Rh1 129.5(3) . . ?
C17 N4 Rh1 112.4(3) . . ?
Rh1 C1 H1C 109.5 . . ?
Rh1 C1 H2B 109.5 . . ?
H1C C1 H2B 109.5 . . ?
Rh1 C1 H3A 109.5 . . ?
H1C C1 H3A 109.5 . . ?
H2B C1 H3A 109.5 . . ?
N1 C2 C3 123.1(5) . . ?
N1 C2 H4 118.4 . . ?
C3 C2 H4 118.4 . . ?
C2 C3 C4 118.3(5) . . ?
C2 C3 H5 120.8 . . ?
C4 C3 H5 120.8 . . ?
C5 C4 C3 119.6(5) . . ?
C5 C4 H6 120.2 . . ?
C3 C4 H6 120.2 . . ?
C4 C5 C6 119.2(5) . . ?
C4 C5 H7 120.4 . . ?
C6 C5 H7 120.4 . . ?
N1 C6 C5 121.2(5) . . ?
N1 C6 C7 115.7(4) . . ?
C5 C6 C7 123.1(5) . . ?
N2 C7 C8 118.3(5) . . ?
N2 C7 C6 112.2(4) . . ?
C8 C7 C6 129.4(5) . . ?
C7 C8 C9 118.6(5) . . ?
C7 C8 H8 120.7 . . ?
C9 C8 H8 120.7 . . ?
C10 C9 C8 122.2(5) . . ?
C10 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C9 C10 C11 118.1(5) . . ?
C9 C10 H10 121.0 . . ?
C11 C10 H10 121.0 . . ?
N2 C11 C10 119.0(5) . . ?
N2 C11 C12 113.4(4) . . ?
C10 C11 C12 127.6(5) . . ?
N3 C12 C13 118.3(5) . . ?
N3 C12 C11 112.6(4) . . ?
C13 C12 C11 129.0(5) . . ?
C14 C13 C12 118.8(5) . . ?
C14 C13 H11 120.6 . . ?
C12 C13 H11 120.6 . . ?
C13 C14 C15 121.5(5) . . ?
C13 C14 H12 119.2 . . ?
C15 C14 H12 119.2 . . ?
C16 C15 C14 118.7(5) . . ?
C16 C15 H13 120.7 . . ?
C14 C15 H13 120.7 . . ?
N3 C16 C15 118.7(5) . . ?
N3 C16 C17 112.8(4) . . ?
C15 C16 C17 128.5(5) . . ?
C18 C17 N4 121.6(5) . . ?
C18 C17 C16 123.6(5) . . ?
N4 C17 C16 114.8(4) . . ?
C17 C18 C19 119.3(5) . . ?
C17 C18 H14 120.4 . . ?
C19 C18 H14 120.4 . . ?
C20 C19 C18 119.2(5) . . ?
C20 C19 H15 120.4 . . ?
C18 C19 H15 120.4 . . ?
C21 C20 C19 119.5(5) . . ?
C21 C20 H16 120.3 . . ?
C19 C20 H16 120.3 . . ?
N4 C21 C20 122.5(5) . . ?
N4 C21 H17 118.8 . . ?
C20 C21 H17 118.8 . . ?
C23 C22 H28A 110.5 . . ?
C23 C22 H28B 110.7 . . ?
H28A C22 H28B 108.4 . . ?
C23 C22 H28C 110.4 . . ?
H28A C22 H28C 108.4 . . ?
H28B C22 H28C 108.4 . . ?
N38 C23 C22 176.3(9) . . ?
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
I1 Rh1 2.8026(8) . ?
Rh1 N2 1.928(4) . ?
Rh1 N3 1.938(4) . ?
Rh1 N4 2.079(4) . ?
Rh1 N1 2.084(4) . ?
Rh1 C1 2.094(5) . ?
P1 F5 1.587(3) . ?
P1 F1 1.593(4) . ?
P1 F2 1.594(3) . ?
P1 F3 1.596(4) . ?
P1 F4 1.601(4) . ?
P1 F6 1.603(4) . ?
N1 C2 1.340(6) . ?
N1 C6 1.357(6) . ?
N2 C11 1.351(6) . ?
N2 C7 1.355(7) . ?
N3 C16 1.332(6) . ?
N3 C12 1.373(6) . ?
N4 C21 1.345(6) . ?
N4 C17 1.381(6) . ?
N38 C23 1.132(8) . ?
C1 H1C 0.9800 . ?
C1 H2B 0.9800 . ?
C1 H3A 0.9800 . ?
C2 C3 1.375(7) . ?
C2 H4 0.9500 . ?
C3 C4 1.383(8) . ?
C3 H5 0.9500 . ?
C4 C5 1.380(8) . ?
C4 H6 0.9500 . ?
C5 C6 1.388(7) . ?
C5 H7 0.9500 . ?
C6 C7 1.469(7) . ?
C7 C8 1.381(7) . ?
C8 C9 1.386(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.371(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.388(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.471(7) . ?
C12 C13 1.382(7) . ?
C13 C14 1.376(8) . ?
C13 H11 0.9500 . ?
C14 C15 1.390(7) . ?
C14 H12 0.9500 . ?
C15 C16 1.390(7) . ?
C15 H13 0.9500 . ?
C16 C17 1.474(7) . ?
C17 C18 1.378(7) . ?
C18 C19 1.383(7) . ?
C18 H14 0.9500 . ?
C19 C20 1.382(7) . ?
C19 H15 0.9500 . ?
C20 C21 1.373(7) . ?
C20 H16 0.9500 . ?
C21 H17 0.9500 . ?
C22 C23 1.454(9) . ?
C22 H28A 0.9660 . ?
C22 H28B 0.9661 . ?
C22 H28C 0.9666 . ?
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
C6 N1 C2 C3 1.9(7) . . . . ?
Rh1 N1 C2 C3 178.5(4) . . . . ?
N1 C2 C3 C4 -0.7(7) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 C6 0.1(7) . . . . ?
C2 N1 C6 C5 -2.0(7) . . . . ?
Rh1 N1 C6 C5 -179.2(4) . . . . ?
C2 N1 C6 C7 177.5(4) . . . . ?
Rh1 N1 C6 C7 0.3(5) . . . . ?
C4 C5 C6 N1 1.0(7) . . . . ?
C4 C5 C6 C7 -178.4(4) . . . . ?
C11 N2 C7 C8 1.5(7) . . . . ?
Rh1 N2 C7 C8 -174.8(3) . . . . ?
C11 N2 C7 C6 -177.3(4) . . . . ?
Rh1 N2 C7 C6 6.3(5) . . . . ?
N1 C6 C7 N2 -4.0(6) . . . . ?
C5 C6 C7 N2 175.5(4) . . . . ?
N1 C6 C7 C8 177.3(5) . . . . ?
C5 C6 C7 C8 -3.2(8) . . . . ?
N2 C7 C8 C9 -1.2(7) . . . . ?
C6 C7 C8 C9 177.4(5) . . . . ?
C7 C8 C9 C10 -0.4(8) . . . . ?
C8 C9 C10 C11 1.7(8) . . . . ?
C7 N2 C11 C10 -0.2(7) . . . . ?
Rh1 N2 C11 C10 176.3(4) . . . . ?
C7 N2 C11 C12 -178.7(4) . . . . ?
Rh1 N2 C11 C12 -2.3(5) . . . . ?
C9 C10 C11 N2 -1.4(7) . . . . ?
C9 C10 C11 C12 176.9(5) . . . . ?
C16 N3 C12 C13 -0.1(7) . . . . ?
Rh1 N3 C12 C13 -178.9(3) . . . . ?
C16 N3 C12 C11 177.3(4) . . . . ?
Rh1 N3 C12 C11 -1.5(5) . . . . ?
N2 C11 C12 N3 2.4(6) . . . . ?
C10 C11 C12 N3 -176.0(5) . . . . ?
N2 C11 C12 C13 179.5(5) . . . . ?
C10 C11 C12 C13 1.1(8) . . . . ?
N3 C12 C13 C14 -0.7(7) . . . . ?
C11 C12 C13 C14 -177.6(5) . . . . ?
C12 C13 C14 C15 0.8(7) . . . . ?
C13 C14 C15 C16 0.0(8) . . . . ?
C12 N3 C16 C15 0.8(7) . . . . ?
Rh1 N3 C16 C15 179.6(3) . . . . ?
C12 N3 C16 C17 -177.9(4) . . . . ?
Rh1 N3 C16 C17 0.9(5) . . . . ?
C14 C15 C16 N3 -0.7(7) . . . . ?
C14 C15 C16 C17 177.7(5) . . . . ?
C21 N4 C17 C18 1.9(7) . . . . ?
Rh1 N4 C17 C18 -173.7(4) . . . . ?
C21 N4 C17 C16 -179.8(4) . . . . ?
Rh1 N4 C17 C16 4.6(5) . . . . ?
N3 C16 C17 C18 174.5(4) . . . . ?
C15 C16 C17 C18 -4.0(8) . . . . ?
N3 C16 C17 N4 -3.7(6) . . . . ?
C15 C16 C17 N4 177.8(4) . . . . ?
N4 C17 C18 C19 -1.4(7) . . . . ?
C16 C17 C18 C19 -179.6(4) . . . . ?
C17 C18 C19 C20 0.6(7) . . . . ?
C18 C19 C20 C21 -0.3(7) . . . . ?
C17 N4 C21 C20 -1.6(7) . . . . ?
Rh1 N4 C21 C20 173.1(3) . . . . ?
C19 C20 C21 N4 0.8(7) . . . . ?
