#------------------------------------------------------------------------------
#$Date: 2025-12-10 00:30:17 +0100 (Wed 10 de Dec de 2025) $
#$Revision: 304150 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/64/1576408.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_1576408
loop_
_publ_author_name
'Yan, Liping'
'Moriyama, Takumi'
'Akita, Yutaro'
'Muratsugu, Satoshi'
'Tada, Mizuki'
'Yamashita, Makoto'
'Morimoto, Yuma'
_publ_section_title
;
 Low-oxidation state dirhodium complex produced by four-electron reduction
 of dirhodium(ii) complex supported by a flexible macrocyclic ligand
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D5SC07037F
_journal_year                    2026
_chemical_formula_moiety         'C36 H54 N6 Rh2, C4 H10 O'
_chemical_formula_sum            'C40 H64 N6 O Rh2'
_chemical_formula_weight         850.79
_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     iterative
_audit_creation_date             2025-06-08
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-06-16 deposited with the CCDC.	2025-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                107.213(3)
_cell_angle_beta                 91.691(3)
_cell_angle_gamma                110.555(4)
_cell_formula_units_Z            1
_cell_length_a                   9.7299(4)
_cell_length_b                   9.9420(4)
_cell_length_c                   11.2199(4)
_cell_measurement_reflns_used    4798
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      30.5220
_cell_measurement_theta_min      2.3190
_cell_volume                     959.88(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.845
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -6.00  85.00   0.50    4.49    --   15.87  73.00 -34.00  182
  2  ω     68.00  98.00   0.50    4.49    --   15.87 178.00 -30.00   60
  3  ω     57.00  98.00   0.50    4.49    --   15.87 178.00-180.00   82
  4  ω      4.00  91.00   0.50    4.49    --   15.87  57.00  90.00  174
  5  ω    -15.00  11.00   0.50    4.49    --  -14.15 -99.00-150.00   52
  6  ω    -48.00  46.00   0.50    4.49    --   15.87 -73.00-163.00  188
  7  ω    -53.00  36.00   0.50    4.49    --   15.87 -77.00 150.00  178
  8  ω    -90.00 -65.00   0.50    4.49    --  -14.15-178.00 -60.00   50
  9  ω    -92.00 -58.00   0.50    4.49    --  -14.15 178.00-180.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.845
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12299
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.845
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.845
_diffrn_reflns_theta_min         2.261
_exptl_absorpt_coefficient_mu    0.899
_exptl_absorpt_correction_T_max  0.865
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'metallic blackish green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_description       block
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.044
_refine_diff_density_max         2.479
_refine_diff_density_min         -0.933
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         5097
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0721P)²+0.6657P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1236
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4178
_reflns_number_total             5097
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc07037f2.cif
_cod_data_source_block           091-03-rh20-et2o
_cod_database_code               1576408
_shelx_shelxl_version_number     2019/3
_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.
;
_olex2_refinement_description
;
1. Restrained distances
 O1-C20 = C20-C19 = O1-C22 = C22-C23
 1.52 with sigma of 0.02
 O1-C19 = C20-C22 = O1-C23
 2.53 with sigma of 0.04
2. Others
 Fixed Sof: O1(0.5) C20(0.5) H20A(0.5) H20B(0.5) C19(0.5) H19A(0.5) H19B(0.5)
 H19C(0.5) C22(0.5) H22A(0.5) H22B(0.5) C23(0.5) H23A(0.5) H23B(0.5) H23C(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B), C15(H15A,H15B), C18(H18A,H18B), C14(H14A,
 H14B), C20(H20A,H20B), C22(H22A,H22B)
3.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C4(H4)
3.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C1(H1A,H1B,H1C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C),
 C9(H9A,H9B,H9C), C19(H19A,H19B,H19C), C23(H23A,H23B,H23C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- B-factor correction
;
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.58590(3) 0.92376(3) 0.53448(2) 0.02279(10) Uani 1 1 d . . . . .
N002 N 0.7788(3) 1.0601(4) 0.4975(3) 0.0260(6) Uani 1 1 d . . . . .
N003 N 0.6324(3) 0.7804(3) 0.4001(3) 0.0239(6) Uani 1 1 d . . . . .
N004 N 0.4136(3) 0.7258(4) 0.5154(3) 0.0257(6) Uani 1 1 d . . . . .
C2 C 0.8387(4) 0.9922(4) 0.4044(3) 0.0269(7) Uani 1 1 d . . . . .
C11 C 0.5379(4) 0.6307(4) 0.3573(3) 0.0267(7) Uani 1 1 d . . . . .
C12 C 0.4144(4) 0.6030(4) 0.4265(3) 0.0253(7) Uani 1 1 d . . . . .
C3 C 0.7566(4) 0.8315(4) 0.3448(3) 0.0248(7) Uani 1 1 d . . . . .
C16 C 0.5573(4) 1.0726(4) 0.7080(3) 0.0266(7) Uani 1 1 d . . . . .
H16A H 0.609661 1.183276 0.725677 0.025(10) Uiso 1 1 calc R . . . .
H16B H 0.456572 1.044319 0.732128 0.033(11) Uiso 1 1 calc R . . . .
C17 C 0.8569(4) 1.2242(4) 0.5649(4) 0.0296(8) Uani 1 1 d . . . . .
H17A H 0.960883 1.243140 0.594911 0.015(9) Uiso 1 1 calc R . . . .
H17B H 0.809592 1.253355 0.640075 0.037(12) Uiso 1 1 calc R . . . .
C10 C 0.5673(4) 0.5275(5) 0.2579(3) 0.0289(8) Uani 1 1 d . . . . .
H10 H 0.501545 0.423928 0.228831 0.044(13) Uiso 1 1 calc R . . . .
C13 C 0.3029(4) 0.4432(5) 0.4000(4) 0.0326(8) Uani 1 1 d . . . . .
H13A H 0.262056 0.433366 0.477134 0.023(10) Uiso 1 1 calc R . . . .
H13B H 0.351935 0.370891 0.371549 0.062(17) Uiso 1 1 calc R . . . .
H13C H 0.222481 0.421757 0.334063 0.030(11) Uiso 1 1 calc R . . . .
C15 C 0.6435(4) 0.9916(5) 0.7311(3) 0.0321(8) Uani 1 1 d . . . . .
H15A H 0.597182 0.913973 0.771514 0.047(14) Uiso 1 1 calc R . . . .
H15B H 0.749739 1.052447 0.765086 0.021(9) Uiso 1 1 calc R . . . .
C1 C 0.9842(4) 1.0685(5) 0.3639(4) 0.0301(8) Uani 1 1 d . . . . .
H1A H 0.966995 1.112689 0.300263 0.028(10) Uiso 1 1 calc R . . . .
H1B H 1.028185 0.993353 0.327896 0.033(11) Uiso 1 1 calc R . . . .
H1C H 1.052116 1.149103 0.437146 0.045(13) Uiso 1 1 calc R . . . .
C4 C 0.7865(4) 0.7280(5) 0.2452(3) 0.0296(8) Uani 1 1 d . . . . .
H4 H 0.872312 0.762614 0.207286 0.023(10) Uiso 1 1 calc R . . . .
C18 C 0.8579(4) 1.3256(5) 0.4863(4) 0.0359(9) Uani 1 1 d . . . . .
H18A H 0.930440 1.318672 0.427023 0.043(13) Uiso 1 1 calc R . . . .
H18B H 0.893597 1.432102 0.543445 0.041(13) Uiso 1 1 calc R . . . .
C14 C 0.2905(4) 0.7101(4) 0.5896(4) 0.0293(8) Uani 1 1 d . . . . .
H14A H 0.314985 0.805799 0.660803 0.017(9) Uiso 1 1 calc R . . . .
H14B H 0.280318 0.627970 0.625589 0.038(12) Uiso 1 1 calc R . . . .
C5 C 0.6935(4) 0.5749(5) 0.1999(3) 0.0297(8) Uani 1 1 d . . . . .
C7 C 0.8781(4) 0.4570(5) 0.1296(4) 0.0341(9) Uani 1 1 d . . . . .
H7A H 0.956465 0.558608 0.153308 0.033(11) Uiso 1 1 calc R . . . .
H7B H 0.902510 0.387431 0.059372 0.041(13) Uiso 1 1 calc R . . . .
H7C H 0.869917 0.420123 0.201985 0.054(15) Uiso 1 1 calc R . . . .
C6 C 0.7296(4) 0.4648(5) 0.0891(4) 0.0384(10) Uani 1 1 d . . . . .
C8 C 0.7442(6) 0.5241(7) -0.0237(4) 0.0514(13) Uani 1 1 d . . . . .
H8A H 0.650615 0.531780 -0.048815 0.054(15) Uiso 1 1 calc R . . . .
H8B H 0.766909 0.453723 -0.094543 0.055(15) Uiso 1 1 calc R . . . .
H8C H 0.824317 0.624647 0.000369 0.064(18) Uiso 1 1 calc R . . . .
C9 C 0.6095(5) 0.3049(6) 0.0466(5) 0.0584(16) Uani 1 1 d . . . . .
H9A H 0.600396 0.263864 0.116672 0.060(17) Uiso 1 1 calc R . . . .
H9B H 0.636641 0.239100 -0.024620 0.034(11) Uiso 1 1 calc R . . . .
H9C H 0.514496 0.309086 0.020565 0.059(16) Uiso 1 1 calc R . . . .
O1 O 0.9685(10) 0.0216(9) 0.0073(8) 0.0414(19) Uani 0.5 1 d D . P A -1
C20 C 0.8156(14) -0.0676(13) 0.0098(14) 0.038(3) Uani 0.5 1 d D . P A -1
H20A H 0.810696 -0.126881 0.067656 0.046 Uiso 0.5 1 calc R U P A -1
H20B H 0.767873 -0.139397 -0.075653 0.046 Uiso 0.5 1 calc R U P A -1
C19 C 0.7380(11) 0.0386(11) 0.0539(10) 0.042(2) Uani 0.5 1 d D . P A -1
H19A H 0.737682 0.091792 -0.006966 0.063 Uiso 0.5 1 calc R U P A -1
H19B H 0.789489 0.112854 0.136312 0.063 Uiso 0.5 1 calc R U P A -1
H19C H 0.635516 -0.018743 0.061402 0.063 Uiso 0.5 1 calc R U P A -1
C22 C 1.0596(15) -0.0722(15) -0.0175(15) 0.046(3) Uani 0.5 1 d D . P A -1
H22A H 1.017805 -0.156536 -0.098324 0.056 Uiso 0.5 1 calc R U P A -1
H22B H 1.061155 -0.116041 0.050829 0.056 Uiso 0.5 1 calc R U P A -1
C23 C 1.2124(16) 0.0275(16) -0.0236(18) 0.049(3) Uani 0.5 1 d D . P A -1
H23A H 1.209536 0.070931 -0.091001 0.074 Uiso 0.5 1 calc R U P A -1
H23B H 1.275258 -0.032412 -0.040975 0.074 Uiso 0.5 1 calc R U P A -1
H23C H 1.253288 0.109689 0.057276 0.074 Uiso 0.5 1 calc R U P A -1
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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-13 2 -3 0.0176
-11 3 -8 0.0177
2 -13 3 0.0271
-1 13 -3 0.0281
11 -6 8 0.0230
-1 -1 15 0.0317
13 -2 2 0.0246
3 0 -15 0.0121
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
N002 Rh01 Rh01 94.42(9) . 2_676 ?
N002 Rh01 N004 156.64(12) . . ?
N002 Rh01 C16 101.52(13) . . ?
N002 Rh01 C15 97.77(14) . . ?
N003 Rh01 Rh01 117.58(9) . 2_676 ?
N003 Rh01 N002 78.45(13) . . ?
N003 Rh01 N004 78.20(12) . . ?
N003 Rh01 C16 169.19(12) . . ?
N003 Rh01 C15 130.43(14) . . ?
N004 Rh01 Rh01 96.78(8) . 2_676 ?
N004 Rh01 C16 101.31(13) . . ?
N004 Rh01 C15 96.92(14) . . ?
C16 Rh01 Rh01 73.23(10) . 2_676 ?
C15 Rh01 Rh01 111.98(11) . 2_676 ?
C15 Rh01 C16 38.76(14) . . ?
C2 N002 Rh01 115.8(3) . . ?
C2 N002 C17 118.4(3) . . ?
C17 N002 Rh01 125.8(2) . . ?
C11 N003 Rh01 119.5(2) . . ?
C11 N003 C3 121.0(3) . . ?
C3 N003 Rh01 119.4(2) . . ?
C12 N004 Rh01 115.9(2) . . ?
C12 N004 C14 118.9(3) . . ?
C14 N004 Rh01 125.3(2) . . ?
N002 C2 C3 114.9(3) . . ?
N002 C2 C1 125.3(3) . . ?
C3 C2 C1 119.7(3) . . ?
N003 C11 C12 111.8(3) . . ?
N003 C11 C10 120.1(3) . . ?
C10 C11 C12 128.2(4) . . ?
N004 C12 C11 114.6(3) . . ?
N004 C12 C13 125.2(3) . . ?
C11 C12 C13 120.1(3) . . ?
N003 C3 C2 111.4(3) . . ?
N003 C3 C4 119.0(3) . . ?
C4 C3 C2 129.7(3) . . ?
Rh01 C16 H16A 116.8 . . ?
Rh01 C16 H16B 116.8 . . ?
H16A C16 H16B 113.9 . . ?
C15 C16 Rh01 68.3(2) . . ?
C15 C16 H16A 116.8 . . ?
C15 C16 H16B 116.8 . . ?
N002 C17 H17A 108.6 . . ?
N002 C17 H17B 108.6 . . ?
N002 C17 C18 114.5(3) . . ?
H17A C17 H17B 107.6 . . ?
C18 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
C11 C10 H10 119.7 . . ?
C11 C10 C5 120.6(4) . . ?
C5 C10 H10 119.7 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Rh01 C15 H15A 116.3 . . ?
Rh01 C15 H15B 116.3 . . ?
C16 C15 Rh01 72.9(2) . . ?
C16 C15 H15A 116.3 . . ?
C16 C15 H15B 116.3 . . ?
H15A C15 H15B 113.2 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C4 H4 119.2 . . ?
C3 C4 C5 121.6(3) . . ?
C5 C4 H4 119.2 . . ?
C17 C18 H18A 108.3 . . ?
C17 C18 H18B 108.3 . . ?
C17 C18 C14 116.0(3) . 2_676 ?
H18A C18 H18B 107.4 . . ?
C14 C18 H18A 108.3 2_676 . ?
C14 C18 H18B 108.3 2_676 . ?
N004 C14 C18 113.7(3) . 2_676 ?
N004 C14 H14A 108.8 . . ?
N004 C14 H14B 108.8 . . ?
C18 C14 H14A 108.8 2_676 . ?
C18 C14 H14B 108.8 2_676 . ?
H14A C14 H14B 107.7 . . ?
C10 C5 C6 122.3(4) . . ?
C4 C5 C10 117.7(3) . . ?
C4 C5 C6 119.9(3) . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
C5 C6 C7 108.7(3) . . ?
C5 C6 C8 109.5(4) . . ?
C7 C6 C8 109.0(3) . . ?
C9 C6 C5 112.3(3) . . ?
C9 C6 C7 109.1(4) . . ?
C9 C6 C8 108.2(4) . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C20 O1 C22 111.8(8) . . ?
O1 C20 H20A 110.1 . . ?
O1 C20 H20B 110.1 . . ?
O1 C20 C19 108.0(9) . . ?
H20A C20 H20B 108.4 . . ?
C19 C20 H20A 110.1 . . ?
C19 C20 H20B 110.1 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O1 C22 H22A 110.2 . . ?
O1 C22 H22B 110.2 . . ?
O1 C22 C23 107.8(9) . . ?
H22A C22 H22B 108.5 . . ?
C23 C22 H22A 110.2 . . ?
C23 C22 H22B 110.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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
Rh01 Rh01 2.8439(5) 2_676 ?
Rh01 N002 2.031(3) . ?
Rh01 N003 1.932(3) . ?
Rh01 N004 2.035(3) . ?
Rh01 C16 2.162(3) . ?
Rh01 C15 2.102(4) . ?
N002 C2 1.334(5) . ?
N002 C17 1.475(5) . ?
N003 C11 1.371(5) . ?
N003 C3 1.380(4) . ?
N004 C12 1.330(5) . ?
N004 C14 1.469(4) . ?
C2 C3 1.442(5) . ?
C2 C1 1.509(5) . ?
C11 C12 1.439(5) . ?
C11 C10 1.388(5) . ?
C12 C13 1.510(5) . ?
C3 C4 1.393(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C15 1.416(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.522(6) . ?
C10 H10 0.9500 . ?
C10 C5 1.406(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C4 H4 0.9500 . ?
C4 C5 1.394(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C14 1.524(6) 2_676 ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C5 C6 1.535(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7 C6 1.536(6) . ?
C6 C8 1.537(7) . ?
C6 C9 1.528(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
O1 C20 1.446(13) . ?
O1 C22 1.474(13) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C19 1.484(11) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.486(15) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
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
Rh01 N002 C2 C3 -0.3(4) . . . . ?
Rh01 N002 C2 C1 -177.2(3) . . . . ?
Rh01 N002 C17 C18 -112.1(3) . . . . ?
Rh01 N003 C11 C12 -1.8(4) . . . . ?
Rh01 N003 C11 C10 177.8(3) . . . . ?
Rh01 N003 C3 C2 2.7(4) . . . . ?
Rh01 N003 C3 C4 -177.9(2) . . . . ?
Rh01 N004 C12 C11 -0.2(4) . . . . ?
Rh01 N004 C12 C13 176.6(3) . . . . ?
Rh01 N004 C14 C18 110.2(3) . . . 2_676 ?
N002 C2 C3 N003 -1.4(4) . . . . ?
N002 C2 C3 C4 179.2(3) . . . . ?
N002 C17 C18 C14 46.5(5) . . . 2_676 ?
N003 C11 C12 N004 1.2(5) . . . . ?
N003 C11 C12 C13 -175.8(3) . . . . ?
N003 C11 C10 C5 -0.2(5) . . . . ?
N003 C3 C4 C5 0.5(5) . . . . ?
C2 N002 C17 C18 68.6(4) . . . . ?
C2 C3 C4 C5 179.8(4) . . . . ?
C11 N003 C3 C2 179.6(3) . . . . ?
C11 N003 C3 C4 -1.0(5) . . . . ?
C11 C10 C5 C4 -0.3(6) . . . . ?
C11 C10 C5 C6 -179.5(4) . . . . ?
C12 N004 C14 C18 -68.6(4) . . . 2_676 ?
C12 C11 C10 C5 179.3(4) . . . . ?
C3 N003 C11 C12 -178.7(3) . . . . ?
C3 N003 C11 C10 0.9(5) . . . . ?
C3 C4 C5 C10 0.2(6) . . . . ?
C3 C4 C5 C6 179.4(4) . . . . ?
C17 N002 C2 C3 179.1(3) . . . . ?
C17 N002 C2 C1 2.1(5) . . . . ?
C10 C11 C12 N004 -178.3(3) . . . . ?
C10 C11 C12 C13 4.7(6) . . . . ?
C10 C5 C6 C7 -117.5(4) . . . . ?
C10 C5 C6 C8 123.6(4) . . . . ?
C10 C5 C6 C9 3.3(6) . . . . ?
C1 C2 C3 N003 175.7(3) . . . . ?
C1 C2 C3 C4 -3.6(6) . . . . ?
C4 C5 C6 C7 63.3(5) . . . . ?
C4 C5 C6 C8 -55.6(5) . . . . ?
C4 C5 C6 C9 -175.8(4) . . . . ?
C14 N004 C12 C11 178.7(3) . . . . ?
C14 N004 C12 C13 -4.4(5) . . . . ?
C20 O1 C22 C23 177.7(16) . . . . ?
C22 O1 C20 C19 171.7(9) . . . . ?
