#------------------------------------------------------------------------------
#$Date: 2022-04-14 00:55:50 +0300 (Thu, 14 Apr 2022) $
#$Revision: 274510 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/99/7129978.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_7129978
loop_
_publ_author_name
'Yue, Erlin'
'Petrov, Andrey'
'Frost, Daniel Sebastian'
'Dettling, Lea'
'Conrad, Lawrence'
'Wossidlo, Friedrich'
'Coles, Nathan Thomas'
'Weber, Manuela'
'Muller, Christian'
_publ_section_title
;
 Highly Flexible Phosphabenzenes: A Missing Coordination Mode of
 2,4,6-Triaryl-λ3-Phosphinines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01817A
_journal_year                    2022
_chemical_formula_moiety         'C56 H38 Cr2 O8 P2 Rh2'
_chemical_formula_sum            'C56 H38 Cr2 O8 P2 Rh2'
_chemical_formula_weight         1210.62
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-06-29
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-10-04 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.916(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.9464(15)
_cell_length_b                   25.216(3)
_cell_length_c                   8.2418(10)
_cell_measurement_reflns_used    9326
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      29.60
_cell_measurement_theta_min      2.43
_cell_volume                     2334.3(5)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_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  0.0315
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            29404
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.609
_diffrn_reflns_theta_min         2.429
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.276
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6291
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0938 before and 0.0566 after correction.
The Ratio of minimum to maximum transmission is 0.8434.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_description       Block
_exptl_crystal_F_000             1212
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6531
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0316
_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)+(0.0204P)²+4.1293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0669
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5711
_reflns_number_total             6531
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc01817a2.cif
_cod_data_source_block           yel228
_cod_database_code               7129978
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.701
_shelx_estimated_absorpt_t_min   0.598
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C2(H2)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C20(H20), C11(H11), C24(H24), C8(H8), C23(H23), C16(H16), C13(H13),
 C17(H17), C9(H9), C21(H21), C14(H14), C22(H22), C10(H10)
2.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.61557(2) 0.49965(2) 0.63093(2) 0.00685(5) Uani 1 1 d . . . . .
Cr1 Cr 0.24890(3) 0.57470(2) 0.48349(4) 0.00617(7) Uani 1 1 d . . . . .
P1 P 0.46133(5) 0.54620(2) 0.63505(7) 0.00621(10) Uani 1 1 d . . . . .
O4 O 0.27168(15) 0.59387(7) 0.1344(2) 0.0171(3) Uani 1 1 d . . . . .
O2 O 0.05232(15) 0.49435(7) 0.3504(2) 0.0197(4) Uani 1 1 d . . . . .
O3 O 0.04911(15) 0.64984(7) 0.3101(3) 0.0221(4) Uani 1 1 d . . . . .
O1 O 0.82194(16) 0.55074(8) 0.9102(3) 0.0259(4) Uani 1 1 d . . . . .
C6 C 0.35148(19) 0.46812(8) 0.7730(3) 0.0089(4) Uani 1 1 d . . . . .
C5 C 0.42985(18) 0.61558(8) 0.6083(3) 0.0076(4) Uani 1 1 d . . . . .
C26 C 0.13051(19) 0.52349(9) 0.4042(3) 0.0117(4) Uani 1 1 d . . . . .
C3 C 0.26288(18) 0.61477(8) 0.7306(3) 0.0080(4) Uani 1 1 d . . . . .
C4 C 0.34188(18) 0.64003(8) 0.6596(3) 0.0078(4) Uani 1 1 d . . . . .
H4 H 0.319204 0.676779 0.614925 0.009 Uiso 1 1 calc R U . . .
C1 C 0.35465(18) 0.52547(8) 0.7295(3) 0.0076(4) Uani 1 1 d . . . . .
C2 C 0.27222(18) 0.55955(8) 0.7641(3) 0.0085(4) Uani 1 1 d . . . . .
H2 H 0.203987 0.542365 0.787915 0.010 Uiso 1 1 calc R U . . .
C28 C 0.27113(18) 0.58053(9) 0.2682(3) 0.0108(4) Uani 1 1 d . . . . .
C19 C 0.49564(18) 0.65088(8) 0.5266(3) 0.0082(4) Uani 1 1 d . . . . .
C12 C 0.17735(18) 0.64695(8) 0.7849(3) 0.0084(4) Uani 1 1 d . . . . .
C7 C 0.4574(2) 0.44108(9) 0.8553(3) 0.0111(4) Uani 1 1 d . . . . .
H7 H 0.531426 0.458558 0.876074 0.013 Uiso 1 1 calc R U . . .
C27 C 0.12601(19) 0.62145(9) 0.3791(3) 0.0126(4) Uani 1 1 d . . . . .
C20 C 0.4343(2) 0.68636(9) 0.3954(3) 0.0124(4) Uani 1 1 d . . . . .
H20 H 0.349782 0.685179 0.349313 0.015 Uiso 1 1 calc R U . . .
C11 C 0.2428(2) 0.44164(9) 0.7423(3) 0.0135(4) Uani 1 1 d . . . . .
H11 H 0.169799 0.459397 0.685082 0.016 Uiso 1 1 calc R U . . .
C24 C 0.62011(19) 0.65286(9) 0.5896(3) 0.0124(4) Uani 1 1 d . . . . .
H24 H 0.663455 0.628687 0.676826 0.015 Uiso 1 1 calc R U . . .
C25 C 0.7411(2) 0.53146(9) 0.8117(3) 0.0134(4) Uani 1 1 d . . . . .
C8 C 0.4555(2) 0.38851(9) 0.9073(3) 0.0138(4) Uani 1 1 d . . . . .
H8 H 0.528225 0.370273 0.962207 0.017 Uiso 1 1 calc R U . . .
C23 C 0.6814(2) 0.68998(9) 0.5258(3) 0.0163(5) Uani 1 1 d . . . . .
H23 H 0.765905 0.691075 0.570196 0.020 Uiso 1 1 calc R U . . .
C16 C 0.1386(2) 0.72433(8) 0.9320(3) 0.0119(4) Uani 1 1 d . . . . .
H16 H 0.164834 0.757192 0.988496 0.014 Uiso 1 1 calc R U . . .
C13 C 0.06414(19) 0.62779(8) 0.7677(3) 0.0114(4) Uani 1 1 d . . . . .
H13 H 0.037858 0.594964 0.710924 0.014 Uiso 1 1 calc R U . . .
C17 C 0.21356(19) 0.69544(8) 0.8671(3) 0.0103(4) Uani 1 1 d . . . . .
H17 H 0.290175 0.708973 0.879036 0.012 Uiso 1 1 calc R U . . .
C9 C 0.3481(2) 0.36289(9) 0.8790(3) 0.0159(5) Uani 1 1 d . . . . .
H9 H 0.346905 0.327312 0.916311 0.019 Uiso 1 1 calc R U . . .
C21 C 0.4955(2) 0.72329(9) 0.3317(3) 0.0143(4) Uani 1 1 d . . . . .
H21 H 0.452741 0.747148 0.242984 0.017 Uiso 1 1 calc R U . . .
C14 C -0.01043(19) 0.65660(9) 0.8333(3) 0.0127(4) Uani 1 1 d . . . . .
H14 H -0.086633 0.642812 0.822490 0.015 Uiso 1 1 calc R U . . .
C22 C 0.6190(2) 0.72524(9) 0.3978(3) 0.0158(5) Uani 1 1 d . . . . .
H22 H 0.660797 0.750705 0.355293 0.019 Uiso 1 1 calc R U . . .
C10 C 0.2421(2) 0.38937(9) 0.7959(3) 0.0178(5) Uani 1 1 d . . . . .
H10 H 0.168424 0.371624 0.775485 0.021 Uiso 1 1 calc R U . . .
C15 C 0.0250(2) 0.70533(9) 0.9145(3) 0.0126(4) Uani 1 1 d . . . . .
C18 C -0.0585(2) 0.73755(10) 0.9776(3) 0.0187(5) Uani 1 1 d . . . . .
H18A H -0.012215 0.761516 1.069561 0.028 Uiso 1 1 calc R U . . .
H18B H -0.105877 0.713692 1.022341 0.028 Uiso 1 1 calc R U . . .
H18C H -0.111669 0.758352 0.881749 0.028 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'
Cr Cr 0.3209 0.6236 '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'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
Cr1 Rh1 Rh1 105.421(12) 3_666 3_666 ?
P1 Rh1 Rh1 48.412(14) 3_666 3_666 ?
P1 Rh1 Rh1 53.847(16) . 3_666 ?
P1 Rh1 Cr1 159.196(17) . 3_666 ?
P1 Rh1 Cr1 57.037(15) 3_666 3_666 ?
P1 Rh1 P1 102.260(19) . 3_666 ?
P1 Rh1 C28 144.74(5) . 3_666 ?
P1 Rh1 C28 84.56(5) 3_666 3_666 ?
C28 Rh1 Rh1 123.14(5) 3_666 3_666 ?
C28 Rh1 Cr1 41.10(5) 3_666 3_666 ?
C25 Rh1 Rh1 152.95(7) . 3_666 ?
C25 Rh1 Cr1 98.76(7) . 3_666 ?
C25 Rh1 P1 101.85(7) . . ?
C25 Rh1 P1 152.57(7) . 3_666 ?
C25 Rh1 C28 83.29(9) . 3_666 ?
P1 Cr1 Rh1 52.042(15) . 3_666 ?
C5 Cr1 Rh1 83.63(5) . 3_666 ?
C5 Cr1 P1 43.23(5) . . ?
C5 Cr1 C1 72.71(7) . . ?
C26 Cr1 Rh1 82.90(7) . 3_666 ?
C26 Cr1 P1 119.50(7) . . ?
C26 Cr1 C5 162.73(9) . . ?
C26 Cr1 C3 116.55(9) . . ?
C26 Cr1 C4 153.24(9) . . ?
C26 Cr1 C1 93.30(9) . . ?
C26 Cr1 C2 93.21(9) . . ?
C26 Cr1 C28 93.29(10) . . ?
C3 Cr1 Rh1 136.81(6) . 3_666 ?
C3 Cr1 P1 85.81(6) . . ?
C3 Cr1 C5 67.73(7) . . ?
C3 Cr1 C1 66.38(7) . . ?
C3 Cr1 C2 36.74(7) . . ?
C4 Cr1 Rh1 119.39(5) . 3_666 ?
C4 Cr1 P1 72.15(5) . . ?
C4 Cr1 C5 36.07(7) . . ?
C4 Cr1 C3 37.16(7) . . ?
C4 Cr1 C1 79.97(8) . . ?
C4 Cr1 C2 66.33(8) . . ?
C1 Cr1 Rh1 74.78(5) . 3_666 ?
C1 Cr1 P1 42.79(5) . . ?
C2 Cr1 Rh1 109.99(5) . 3_666 ?
C2 Cr1 P1 72.13(5) . . ?
C2 Cr1 C5 81.30(7) . . ?
C2 Cr1 C1 35.49(7) . . ?
C28 Cr1 Rh1 57.36(7) . 3_666 ?
C28 Cr1 P1 92.74(7) . . ?
C28 Cr1 C5 88.50(8) . . ?
C28 Cr1 C3 146.43(9) . . ?
C28 Cr1 C4 110.89(9) . . ?
C28 Cr1 C1 130.32(8) . . ?
C28 Cr1 C2 164.82(8) . . ?
C27 Cr1 Rh1 135.87(7) . 3_666 ?
C27 Cr1 P1 156.49(7) . . ?
C27 Cr1 C5 113.50(9) . . ?
C27 Cr1 C26 83.75(10) . . ?
C27 Cr1 C3 86.38(9) . . ?
C27 Cr1 C4 88.42(9) . . ?
C27 Cr1 C1 147.93(9) . . ?
C27 Cr1 C2 112.61(9) . . ?
C27 Cr1 C28 81.75(10) . . ?
Rh1 P1 Rh1 77.743(18) . 3_666 ?
Rh1 P1 Cr1 148.58(3) . . ?
Rh1 P1 Cr1 70.918(17) 3_666 . ?
C5 P1 Rh1 131.62(7) . . ?
C5 P1 Rh1 111.39(7) . 3_666 ?
C5 P1 Cr1 61.70(7) . . ?
C1 P1 Rh1 125.35(7) . . ?
C1 P1 Rh1 98.70(7) . 3_666 ?
C1 P1 Cr1 63.34(7) . . ?
C1 P1 C5 100.90(9) . . ?
C7 C6 C1 119.84(19) . . ?
C7 C6 C11 119.1(2) . . ?
C11 C6 C1 120.97(19) . . ?
P1 C5 Cr1 75.07(7) . . ?
C4 C5 Cr1 69.20(11) . . ?
C4 C5 P1 122.75(15) . . ?
C4 C5 C19 115.99(18) . . ?
C19 C5 Cr1 128.74(15) . . ?
C19 C5 P1 121.25(15) . . ?
O2 C26 Cr1 175.7(2) . . ?
C4 C3 Cr1 71.35(12) . . ?
C4 C3 C12 120.01(18) . . ?
C2 C3 Cr1 73.06(12) . . ?
C2 C3 C4 120.14(18) . . ?
C2 C3 C12 119.62(18) . . ?
C12 C3 Cr1 132.60(15) . . ?
Cr1 C4 H4 115.7 . . ?
C5 C4 Cr1 74.74(12) . . ?
C5 C4 C3 126.79(18) . . ?
C5 C4 H4 115.7 . . ?
C3 C4 Cr1 71.49(12) . . ?
C3 C4 H4 115.7 . . ?
P1 C1 Cr1 73.87(7) . . ?
C6 C1 Cr1 132.05(15) . . ?
C6 C1 P1 117.98(14) . . ?
C2 C1 Cr1 69.14(12) . . ?
C2 C1 P1 124.25(16) . . ?
C2 C1 C6 117.77(18) . . ?
Cr1 C2 H2 116.7 . . ?
C3 C2 Cr1 70.20(12) . . ?
C3 C2 H2 116.7 . . ?
C1 C2 Cr1 75.38(12) . . ?
C1 C2 C3 125.10(19) . . ?
C1 C2 H2 116.7 . . ?
Cr1 C28 Rh1 81.54(8) . 3_666 ?
O4 C28 Rh1 112.79(16) . 3_666 ?
O4 C28 Cr1 165.63(19) . . ?
C20 C19 C5 120.76(19) . . ?
C24 C19 C5 120.72(19) . . ?
C24 C19 C20 118.27(19) . . ?
C13 C12 C3 121.39(19) . . ?
C17 C12 C3 119.58(19) . . ?
C17 C12 C13 118.84(19) . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.5(2) . . ?
C8 C7 H7 119.7 . . ?
O3 C27 Cr1 178.2(2) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 120.9(2) . . ?
C21 C20 H20 119.5 . . ?
C6 C11 H11 120.1 . . ?
C10 C11 C6 119.9(2) . . ?
C10 C11 H11 120.1 . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.7(2) . . ?
C23 C24 H24 119.6 . . ?
O1 C25 Rh1 173.9(2) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.2(2) . . ?
C9 C8 H8 119.9 . . ?
C24 C23 H23 119.9 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 119.9 . . ?
C17 C16 H16 119.7 . . ?
C17 C16 C15 120.6(2) . . ?
C15 C16 H16 119.7 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.8 . . ?
C12 C17 C16 120.7(2) . . ?
C12 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.7(2) . . ?
C10 C9 H9 120.1 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.1(2) . . ?
C15 C14 H14 119.5 . . ?
C23 C22 C21 119.9(2) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C11 C10 H10 119.7 . . ?
C9 C10 C11 120.6(2) . . ?
C9 C10 H10 119.7 . . ?
C16 C15 C18 120.8(2) . . ?
C14 C15 C16 118.43(19) . . ?
C14 C15 C18 120.8(2) . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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
Rh1 Rh1 2.8675(4) 3_666 ?
Rh1 Cr1 2.8400(4) 3_666 ?
Rh1 P1 2.1947(6) . ?
Rh1 P1 2.3695(6) 3_666 ?
Rh1 C28 2.418(2) 3_666 ?
Rh1 C25 1.895(2) . ?
Cr1 P1 2.5214(7) . ?
Cr1 C5 2.298(2) . ?
Cr1 C26 1.861(2) . ?
Cr1 C3 2.228(2) . ?
Cr1 C4 2.226(2) . ?
Cr1 C1 2.346(2) . ?
Cr1 C2 2.265(2) . ?
Cr1 C28 1.887(2) . ?
Cr1 C27 1.851(2) . ?
P1 C5 1.787(2) . ?
P1 C1 1.783(2) . ?
O4 C28 1.155(3) . ?
O2 C26 1.152(3) . ?
O3 C27 1.151(3) . ?
O1 C25 1.137(3) . ?
C6 C1 1.493(3) . ?
C6 C7 1.393(3) . ?
C6 C11 1.405(3) . ?
C5 C4 1.402(3) . ?
C5 C19 1.491(3) . ?
C3 C4 1.419(3) . ?
C3 C2 1.416(3) . ?
C3 C12 1.488(3) . ?
C4 H4 1.0000 . ?
C1 C2 1.407(3) . ?
C2 H2 1.0000 . ?
C19 C20 1.403(3) . ?
C19 C24 1.399(3) . ?
C12 C13 1.397(3) . ?
C12 C17 1.393(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.396(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(3) . ?
C11 H11 0.9500 . ?
C11 C10 1.391(3) . ?
C24 H24 0.9500 . ?
C24 C23 1.397(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(3) . ?
C23 H23 0.9500 . ?
C23 C22 1.387(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.395(3) . ?
C16 C15 1.400(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(3) . ?
C17 H17 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.389(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.389(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(3) . ?
C22 H22 0.9500 . ?
C10 H10 0.9500 . ?
C15 C18 1.509(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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
Rh1 Cr1 C28 O4 -176.1(8) 3_666 . . . ?
Rh1 P1 C5 Cr1 144.90(5) . . . . ?
Rh1 P1 C5 Cr1 52.44(6) 3_666 . . . ?
Rh1 P1 C5 C4 104.95(18) 3_666 . . . ?
Rh1 P1 C5 C4 -162.59(14) . . . . ?
Rh1 P1 C5 C19 -74.13(17) 3_666 . . . ?
Rh1 P1 C5 C19 18.3(2) . . . . ?
Rh1 P1 C1 Cr1 -63.46(4) 3_666 . . . ?
Rh1 P1 C1 Cr1 -144.55(5) . . . . ?
Rh1 P1 C1 C6 66.02(16) 3_666 . . . ?
Rh1 P1 C1 C6 -15.1(2) . . . . ?
Rh1 P1 C1 C2 165.65(15) . . . . ?
Rh1 P1 C1 C2 -113.25(18) 3_666 . . . ?
Cr1 P1 C5 C4 52.51(16) . . . . ?
Cr1 P1 C5 C19 -126.57(19) . . . . ?
Cr1 P1 C1 C6 129.48(18) . . . . ?
Cr1 P1 C1 C2 -49.80(17) . . . . ?
Cr1 C5 C4 C3 52.0(2) . . . . ?
Cr1 C5 C19 C20 35.7(3) . . . . ?
Cr1 C5 C19 C24 -150.14(17) . . . . ?
Cr1 C3 C4 C5 -53.3(2) . . . . ?
Cr1 C3 C2 C1 54.5(2) . . . . ?
Cr1 C3 C12 C13 53.8(3) . . . . ?
Cr1 C3 C12 C17 -131.3(2) . . . . ?
Cr1 C1 C2 C3 -52.3(2) . . . . ?
P1 Cr1 C28 Rh1 40.36(5) . . . 3_666 ?
P1 Cr1 C28 O4 -135.8(8) . . . . ?
P1 C5 C4 Cr1 -55.10(15) . . . . ?
P1 C5 C4 C3 -3.0(3) . . . . ?
P1 C5 C19 C20 131.49(19) . . . . ?
P1 C5 C19 C24 -54.4(3) . . . . ?
P1 C1 C2 Cr1 51.74(15) . . . . ?
P1 C1 C2 C3 -0.6(3) . . . . ?
C6 C1 C2 Cr1 -127.54(18) . . . . ?
C6 C1 C2 C3 -179.9(2) . . . . ?
C6 C7 C8 C9 -0.6(3) . . . . ?
C6 C11 C10 C9 -0.3(4) . . . . ?
C5 Cr1 C28 Rh1 83.39(7) . . . 3_666 ?
C5 Cr1 C28 O4 -92.7(8) . . . . ?
C5 P1 C1 Cr1 50.44(8) . . . . ?
C5 P1 C1 C6 179.92(16) . . . . ?
C5 P1 C1 C2 0.6(2) . . . . ?
C5 C19 C20 C21 173.1(2) . . . . ?
C5 C19 C24 C23 -173.0(2) . . . . ?
C26 Cr1 C28 Rh1 -79.41(8) . . . 3_666 ?
C26 Cr1 C28 O4 104.5(8) . . . . ?
C3 Cr1 C28 Rh1 126.92(13) . . . 3_666 ?
C3 Cr1 C28 O4 -49.2(8) . . . . ?
C3 C12 C13 C14 174.3(2) . . . . ?
C3 C12 C17 C16 -174.7(2) . . . . ?
C4 Cr1 C28 Rh1 112.29(7) . . . 3_666 ?
C4 Cr1 C28 O4 -63.8(8) . . . . ?
C4 C5 C19 C20 -47.6(3) . . . . ?
C4 C5 C19 C24 126.5(2) . . . . ?
C4 C3 C2 Cr1 -55.71(18) . . . . ?
C4 C3 C2 C1 -1.2(3) . . . . ?
C4 C3 C12 C13 145.5(2) . . . . ?
C4 C3 C12 C17 -39.6(3) . . . . ?
C1 Cr1 C28 Rh1 17.73(12) . . . 3_666 ?
C1 Cr1 C28 O4 -158.4(7) . . . . ?
C1 P1 C5 Cr1 -51.49(8) . . . . ?
C1 P1 C5 C4 1.0(2) . . . . ?
C1 P1 C5 C19 -178.06(17) . . . . ?
C1 C6 C7 C8 175.63(19) . . . . ?
C1 C6 C11 C10 -175.1(2) . . . . ?
C2 Cr1 C28 Rh1 35.8(4) . . . 3_666 ?
C2 Cr1 C28 O4 -140.3(7) . . . . ?
C2 C3 C4 Cr1 56.53(18) . . . . ?
C2 C3 C4 C5 3.2(3) . . . . ?
C2 C3 C12 C13 -40.0(3) . . . . ?
C2 C3 C12 C17 134.9(2) . . . . ?
C19 C5 C4 Cr1 124.02(18) . . . . ?
C19 C5 C4 C3 176.1(2) . . . . ?
C19 C20 C21 C22 0.2(3) . . . . ?
C19 C24 C23 C22 -0.4(4) . . . . ?
C12 C3 C4 Cr1 -129.05(19) . . . . ?
C12 C3 C4 C5 177.6(2) . . . . ?
C12 C3 C2 Cr1 129.85(19) . . . . ?
C12 C3 C2 C1 -175.7(2) . . . . ?
C12 C13 C14 C15 1.1(3) . . . . ?
C7 C6 C1 Cr1 138.00(19) . . . . ?
C7 C6 C1 P1 44.8(3) . . . . ?
C7 C6 C1 C2 -135.9(2) . . . . ?
C7 C6 C11 C10 0.8(3) . . . . ?
C7 C8 C9 C10 1.1(4) . . . . ?
C27 Cr1 C28 Rh1 -162.60(9) . . . 3_666 ?
C27 Cr1 C28 O4 21.3(8) . . . . ?
C20 C19 C24 C23 1.3(3) . . . . ?
C20 C21 C22 C23 0.7(4) . . . . ?
C11 C6 C1 Cr1 -46.1(3) . . . . ?
C11 C6 C1 P1 -139.29(19) . . . . ?
C11 C6 C1 C2 40.0(3) . . . . ?
C11 C6 C7 C8 -0.3(3) . . . . ?
C24 C19 C20 C21 -1.2(3) . . . . ?
C24 C23 C22 C21 -0.6(4) . . . . ?
C8 C9 C10 C11 -0.7(4) . . . . ?
C13 C12 C17 C16 0.3(3) . . . . ?
C13 C14 C15 C16 -1.3(3) . . . . ?
C13 C14 C15 C18 177.0(2) . . . . ?
C17 C12 C13 C14 -0.6(3) . . . . ?
C17 C16 C15 C14 1.0(3) . . . . ?
C17 C16 C15 C18 -177.3(2) . . . . ?
C15 C16 C17 C12 -0.5(3) . . . . ?
