#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:26:44 +0300 (Fri, 05 May 2023) $
#$Revision: 283324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/21/7712135.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_7712135
loop_
_publ_author_name
'Watson, Lachlan J.'
'Hill, Anthony F.'
_publ_section_title
;
 C-H activation in bimetallic rhodium complexes to afford N-heterocyclic
 carbene pincer complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2164
_journal_page_last               2174
_journal_paper_doi               10.1039/d2dt03984b
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C76 H64 Cl2 N4 O2 P4 Rh2'
_chemical_formula_sum            'C76 H64 Cl2 N4 O2 P4 Rh2'
_chemical_formula_weight         1465.91
_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     dual
_audit_creation_date             2022-11-28
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-11-28 deposited with the CCDC.	2023-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                108.38(3)
_cell_angle_beta                 106.46(3)
_cell_angle_gamma                93.84(3)
_cell_formula_units_Z            1
_cell_length_a                   11.403(2)
_cell_length_b                   12.569(3)
_cell_length_c                   12.798(3)
_cell_measurement_reflns_used    305
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      19.1
_cell_measurement_theta_min      1.86
_cell_volume                     1644.5(8)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'AS QEGUI'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    'SHELXLE (HÃ\#188;bschle, 2011)'
_computing_structure_refinement  'SHELXL (Sheldrick, 1997)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 13.3
_diffrn_detector_type            'Dectris Eiger 16M'
_diffrn_measured_fraction_theta_full 0.933
_diffrn_measured_fraction_theta_max 0.740
_diffrn_measurement_device_type  'Australian Synchrotron'
_diffrn_measurement_method       'Omega Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_radiation_source         'MX2 Beamline Australian Synchrotron'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_av_unetI/netI     0.0613
_diffrn_reflns_Laue_measured_fraction_full 0.933
_diffrn_reflns_Laue_measured_fraction_max 0.740
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30342
_diffrn_reflns_point_group_measured_fraction_full 0.933
_diffrn_reflns_point_group_measured_fraction_max 0.740
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.102
_diffrn_reflns_theta_min         1.733
_exptl_absorpt_coefficient_mu    0.732
_exptl_absorpt_correction_T_max  0.4344
_exptl_absorpt_correction_T_min  0.2826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1315 before and 0.0572 after correction.
The Ratio of minimum to maximum transmission is 0.6506.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.019
_refine_diff_density_min         -0.917
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         8517
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0854P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1411
_refine_ls_wR_factor_ref         0.1575
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6274
_reflns_number_total             8517
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03984b4.cif
_cod_data_source_block           rh_sadabss
_cod_depositor_comments
'Adding full bibliography for 7712131--7712137.cif.'
_cod_original_cell_volume        1644.5(7)
_cod_database_code               7712135
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C2(H2A,H2B), C3(H3A,H3B)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C32(H32), C28(H28), C31(H31), C10(H10), C17(H17), C38(H38),
 C26(H26), C11(H11), C22(H22), C29(H29), C34(H34), C23(H23), C35(H35), C16(H16),
  C8(H8), C36(H36), C20(H20), C7(H7), C6(H6), C25(H25), C24(H24), C37(H37),
 C30(H30), C18(H18), C19(H19)
;
_olex2_submission_special_instructions 'No special instructions were received'
_publcif_funding_html
;
;
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
Rh1 Rh 0.27923(2) 0.29953(2) 0.24049(2) 0.04480(11) Uani 1 1 d . . . . .
P2 P 0.72072(8) 0.88769(7) 0.76833(8) 0.04281(19) Uani 1 1 d . . . . .
Cl1 Cl 0.47941(9) 0.29478(8) 0.22072(9) 0.0553(2) Uani 1 1 d . . . . .
P1 P 0.29558(8) 0.49109(7) 0.26482(8) 0.0451(2) Uani 1 1 d . . . . .
O1 O 0.0226(3) 0.3042(2) 0.2452(3) 0.0644(7) Uani 1 1 d . . . . .
N2 N 0.5725(3) 0.8529(2) 0.5409(2) 0.0474(6) Uani 1 1 d . . . . .
N1 N 0.4908(3) 0.6832(2) 0.3732(2) 0.0480(7) Uani 1 1 d . . . . .
C14 C 0.6067(3) 0.8463(3) 0.3624(3) 0.0477(8) Uani 1 1 d . . . . .
C12 C 0.6688(3) 1.0252(3) 0.5274(3) 0.0520(8) Uani 1 1 d . . . . .
H12 H 0.672545 1.067527 0.602731 0.062 Uiso 1 1 calc R U . . .
C13 C 0.6175(3) 0.9105(3) 0.4800(3) 0.0472(8) Uani 1 1 d . . . . .
C27 C 0.8467(3) 0.9595(3) 0.7401(3) 0.0440(7) Uani 1 1 d . . . . .
C5 C 0.5459(3) 0.7307(3) 0.3080(3) 0.0484(8) Uani 1 1 d . . . . .
C4 C 0.5806(3) 0.9061(3) 0.6616(3) 0.0463(7) Uani 1 1 d . . . . .
H4A H 0.507191 0.874709 0.673080 0.056 Uiso 1 1 calc R U . . .
H4B H 0.580526 0.986857 0.677767 0.056 Uiso 1 1 calc R U . . .
C9 C 0.6552(3) 0.9010(3) 0.2977(3) 0.0511(8) Uani 1 1 d . . . . .
C33 C 0.7164(3) 0.9828(3) 0.9068(3) 0.0445(7) Uani 1 1 d . . . . .
C32 C 0.8863(3) 0.9011(3) 0.6473(3) 0.0501(8) Uani 1 1 d . . . . .
H32 H 0.853629 0.824629 0.605329 0.060 Uiso 1 1 calc R U . . .
C21 C 0.2146(3) 0.5673(3) 0.3615(3) 0.0490(8) Uani 1 1 d . . . . .
C28 C 0.8985(3) 1.0739(3) 0.8025(3) 0.0523(8) Uani 1 1 d . . . . .
H28 H 0.873880 1.113684 0.865051 0.063 Uiso 1 1 calc R U . . .
C31 C 0.9727(4) 0.9558(3) 0.6178(3) 0.0547(9) Uani 1 1 d . . . . .
H31 H 0.998416 0.916265 0.555815 0.066 Uiso 1 1 calc R U . . .
C10 C 0.7103(3) 1.0185(3) 0.3510(4) 0.0560(9) Uani 1 1 d . . . . .
H10 H 0.742991 1.054634 0.309781 0.067 Uiso 1 1 calc R U . . .
C15 C 0.2446(3) 0.5255(3) 0.1328(3) 0.0492(8) Uani 1 1 d . . . . .
C17 C 0.2072(4) 0.6567(4) 0.0295(4) 0.0610(10) Uani 1 1 d . . . . .
H17 H 0.200672 0.730175 0.029732 0.073 Uiso 1 1 calc R U . . .
C38 C 0.8185(4) 0.9988(3) 1.0056(3) 0.0539(9) Uani 1 1 d . . . . .
H38 H 0.883164 0.958580 0.999153 0.065 Uiso 1 1 calc R U . . .
C26 C 0.2567(4) 0.5784(3) 0.4797(3) 0.0548(9) Uani 1 1 d . . . . .
H26 H 0.331620 0.556308 0.509416 0.066 Uiso 1 1 calc R U . . .
C11 C 0.7153(3) 1.0776(3) 0.4613(4) 0.0551(9) Uani 1 1 d . . . . .
H11 H 0.750157 1.154460 0.494189 0.066 Uiso 1 1 calc R U . . .
C22 C 0.1016(3) 0.6007(3) 0.3212(3) 0.0532(8) Uani 1 1 d . . . . .
H22 H 0.071064 0.594347 0.243608 0.064 Uiso 1 1 calc R U . . .
C29 C 0.9860(3) 1.1289(3) 0.7725(4) 0.0546(9) Uani 1 1 d . . . . .
H29 H 1.019809 1.205069 0.814881 0.066 Uiso 1 1 calc R U . . .
C1 C 0.1216(4) 0.3004(3) 0.2451(3) 0.0524(8) Uani 1 1 d . . . . .
C34 C 0.6193(4) 1.0414(3) 0.9184(3) 0.0513(8) Uani 1 1 d . . . . .
H34 H 0.550736 1.031030 0.853764 0.062 Uiso 1 1 calc R U . . .
C23 C 0.0339(4) 0.6433(4) 0.3946(4) 0.0629(10) Uani 1 1 d . . . . .
H23 H -0.041724 0.664710 0.365893 0.075 Uiso 1 1 calc R U . . .
C35 C 0.6251(4) 1.1161(3) 1.0277(3) 0.0558(9) Uani 1 1 d . . . . .
H35 H 0.559721 1.154841 1.035879 0.067 Uiso 1 1 calc R U . . .
C16 C 0.2356(4) 0.6359(3) 0.1335(4) 0.0540(9) Uani 1 1 d . . . . .
H16 H 0.248517 0.695199 0.203213 0.065 Uiso 1 1 calc R U . . .
C2 C 0.4605(3) 0.5592(3) 0.3359(3) 0.0515(8) Uani 1 1 d . . . . .
H2A H 0.492629 0.537717 0.403672 0.062 Uiso 1 1 calc R U . . .
H2B H 0.505264 0.526847 0.282614 0.062 Uiso 1 1 calc R U . . .
C8 C 0.6438(4) 0.8383(4) 0.1810(4) 0.0589(9) Uani 1 1 d . . . . .
H8 H 0.676080 0.872922 0.138374 0.071 Uiso 1 1 calc R U . . .
C36 C 0.7265(4) 1.1324(3) 1.1229(3) 0.0574(9) Uani 1 1 d . . . . .
H36 H 0.730065 1.183236 1.194981 0.069 Uiso 1 1 calc R U . . .
C20 C 0.2254(4) 0.4382(3) 0.0279(3) 0.0543(9) Uani 1 1 d . . . . .
H20 H 0.231067 0.364482 0.027015 0.065 Uiso 1 1 calc R U . . .
C7 C 0.5860(4) 0.7275(4) 0.1304(4) 0.0597(9) Uani 1 1 d . . . . .
H7 H 0.579022 0.687508 0.053520 0.072 Uiso 1 1 calc R U . . .
C6 C 0.5365(4) 0.6728(4) 0.1933(3) 0.0577(9) Uani 1 1 d . . . . .
H6 H 0.497252 0.597271 0.157406 0.069 Uiso 1 1 calc R U . . .
C25 C 0.1888(4) 0.6213(3) 0.5514(4) 0.0624(10) Uani 1 1 d . . . . .
H25 H 0.218602 0.628037 0.629215 0.075 Uiso 1 1 calc R U . . .
C3 C 0.5534(4) 0.7309(3) 0.4967(3) 0.0591(10) Uani 1 1 d . . . . .
H3A H 0.504753 0.701888 0.536010 0.071 Uiso 1 1 calc R U . . .
H3B H 0.633169 0.706131 0.514149 0.071 Uiso 1 1 calc R U . . .
C24 C 0.0784(4) 0.6542(3) 0.5109(4) 0.0623(10) Uani 1 1 d . . . . .
H24 H 0.033536 0.683526 0.560565 0.075 Uiso 1 1 calc R U . . .
C37 C 0.8230(4) 1.0743(4) 1.1128(3) 0.0585(9) Uani 1 1 d . . . . .
H37 H 0.891433 1.085798 1.177912 0.070 Uiso 1 1 calc R U . . .
C30 C 1.0228(4) 1.0712(4) 0.6805(4) 0.0584(10) Uani 1 1 d . . . . .
H30 H 1.080748 1.108384 0.659495 0.070 Uiso 1 1 calc R U . . .
C18 C 0.1887(4) 0.5690(4) -0.0744(4) 0.0658(11) Uani 1 1 d . . . . .
H18 H 0.170082 0.583471 -0.143711 0.079 Uiso 1 1 calc R U . . .
C19 C 0.1978(4) 0.4595(4) -0.0751(4) 0.0647(11) Uani 1 1 d . . . . .
H19 H 0.185417 0.400371 -0.144821 0.078 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'
Cl Cl 0.1484 0.1585 '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'
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
P2 Rh1 Cl1 85.69(4) 2_666 . ?
P1 Rh1 P2 174.58(3) . 2_666 ?
P1 Rh1 Cl1 91.61(4) . . ?
C1 Rh1 P2 94.49(12) . 2_666 ?
C1 Rh1 Cl1 176.17(12) . . ?
C1 Rh1 P1 88.52(12) . . ?
C27 P2 Rh1 118.86(11) . 2_666 ?
C27 P2 C4 102.04(16) . . ?
C4 P2 Rh1 113.11(12) . 2_666 ?
C33 P2 Rh1 113.28(11) . 2_666 ?
C33 P2 C27 104.67(17) . . ?
C33 P2 C4 103.10(16) . . ?
C21 P1 Rh1 112.85(12) . . ?
C21 P1 C15 107.04(17) . . ?
C21 P1 C2 105.30(17) . . ?
C15 P1 Rh1 116.42(12) . . ?
C15 P1 C2 105.46(18) . . ?
C2 P1 Rh1 108.98(12) . . ?
C13 N2 C4 122.9(3) . . ?
C13 N2 C3 117.9(3) . . ?
C3 N2 C4 116.4(3) . . ?
C5 N1 C2 118.5(3) . . ?
C5 N1 C3 113.6(3) . . ?
C3 N1 C2 110.2(3) . . ?
C5 C14 C13 121.6(3) . . ?
C5 C14 C9 119.6(3) . . ?
C9 C14 C13 118.8(3) . . ?
C13 C12 H12 120.0 . . ?
C13 C12 C11 120.0(4) . . ?
C11 C12 H12 120.0 . . ?
N2 C13 C14 116.9(3) . . ?
C12 C13 N2 123.0(3) . . ?
C12 C13 C14 120.1(3) . . ?
C32 C27 P2 119.2(3) . . ?
C28 C27 P2 122.1(3) . . ?
C28 C27 C32 118.5(3) . . ?
N1 C5 C14 117.3(3) . . ?
C6 C5 N1 123.3(3) . . ?
C6 C5 C14 119.3(4) . . ?
P2 C4 H4A 108.6 . . ?
P2 C4 H4B 108.6 . . ?
N2 C4 P2 114.5(2) . . ?
N2 C4 H4A 108.6 . . ?
N2 C4 H4B 108.6 . . ?
H4A C4 H4B 107.6 . . ?
C14 C9 C10 119.2(4) . . ?
C8 C9 C14 119.0(4) . . ?
C8 C9 C10 121.8(4) . . ?
C38 C33 P2 117.5(3) . . ?
C34 C33 P2 123.2(3) . . ?
C34 C33 C38 119.2(3) . . ?
C27 C32 H32 119.8 . . ?
C31 C32 C27 120.4(4) . . ?
C31 C32 H32 119.8 . . ?
C26 C21 P1 119.3(3) . . ?
C22 C21 P1 122.8(3) . . ?
C22 C21 C26 117.2(4) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 120.9(4) . . ?
C29 C28 H28 119.5 . . ?
C32 C31 H31 119.8 . . ?
C32 C31 C30 120.4(4) . . ?
C30 C31 H31 119.8 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.5(4) . . ?
C11 C10 H10 119.8 . . ?
C16 C15 P1 123.2(3) . . ?
C20 C15 P1 117.2(3) . . ?
C20 C15 C16 119.3(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.4(4) . . ?
C33 C38 H38 119.9 . . ?
C37 C38 C33 120.1(4) . . ?
C37 C38 H38 119.9 . . ?
C21 C26 H26 119.6 . . ?
C25 C26 C21 120.9(4) . . ?
C25 C26 H26 119.6 . . ?
C12 C11 H11 119.3 . . ?
C10 C11 C12 121.4(4) . . ?
C10 C11 H11 119.3 . . ?
C21 C22 H22 119.4 . . ?
C23 C22 C21 121.2(4) . . ?
C23 C22 H22 119.4 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(4) . . ?
C30 C29 H29 120.0 . . ?
O1 C1 Rh1 176.9(3) . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.7(3) . . ?
C35 C34 H34 120.2 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.2(4) . . ?
C24 C23 H23 119.9 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.3(4) . . ?
C36 C35 H35 119.8 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.7(4) . . ?
C17 C16 H16 120.2 . . ?
P1 C2 H2A 107.7 . . ?
P1 C2 H2B 107.7 . . ?
N1 C2 P1 118.3(2) . . ?
N1 C2 H2A 107.7 . . ?
N1 C2 H2B 107.7 . . ?
H2A C2 H2B 107.1 . . ?
C9 C8 H8 119.6 . . ?
C7 C8 C9 120.7(4) . . ?
C7 C8 H8 119.6 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.6(4) . . ?
C37 C36 H36 119.7 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.8(4) . . ?
C19 C20 H20 119.6 . . ?
C8 C7 H7 119.6 . . ?
C8 C7 C6 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C5 C6 C7 120.6(4) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C26 C25 H25 119.4 . . ?
C24 C25 C26 121.3(4) . . ?
C24 C25 H25 119.4 . . ?
N2 C3 N1 112.9(3) . . ?
N2 C3 H3A 109.0 . . ?
N2 C3 H3B 109.0 . . ?
N1 C3 H3A 109.0 . . ?
N1 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C23 C24 H24 120.4 . . ?
C25 C24 C23 119.2(4) . . ?
C25 C24 H24 120.4 . . ?
C38 C37 H37 120.0 . . ?
C36 C37 C38 120.0(3) . . ?
C36 C37 H37 120.0 . . ?
C31 C30 H30 120.1 . . ?
C29 C30 C31 119.7(4) . . ?
C29 C30 H30 120.1 . . ?
C17 C18 H18 120.1 . . ?
C17 C18 C19 119.9(4) . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 119.9(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
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 P2 2.3201(10) 2_666 ?
Rh1 Cl1 2.3695(11) . ?
Rh1 P1 2.3158(10) . ?
Rh1 C1 1.816(4) . ?
P2 C27 1.826(4) . ?
P2 C4 1.866(3) . ?
P2 C33 1.815(4) . ?
P1 C21 1.822(4) . ?
P1 C15 1.822(4) . ?
P1 C2 1.849(4) . ?
O1 C1 1.133(5) . ?
N2 C13 1.389(5) . ?
N2 C4 1.449(4) . ?
N2 C3 1.434(5) . ?
N1 C5 1.417(5) . ?
N1 C2 1.463(4) . ?
N1 C3 1.439(5) . ?
C14 C13 1.430(5) . ?
C14 C5 1.425(5) . ?
C14 C9 1.426(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.387(5) . ?
C12 C11 1.410(5) . ?
C27 C32 1.396(5) . ?
C27 C28 1.396(5) . ?
C5 C6 1.387(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C9 C10 1.427(5) . ?
C9 C8 1.415(6) . ?
C33 C38 1.403(5) . ?
C33 C34 1.386(5) . ?
C32 H32 0.9300 . ?
C32 C31 1.368(5) . ?
C21 C26 1.408(5) . ?
C21 C22 1.391(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.382(5) . ?
C31 H31 0.9300 . ?
C31 C30 1.404(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.355(6) . ?
C15 C16 1.395(5) . ?
C15 C20 1.387(5) . ?
C17 H17 0.9300 . ?
C17 C16 1.390(5) . ?
C17 C18 1.383(6) . ?
C38 H38 0.9300 . ?
C38 C37 1.384(5) . ?
C26 H26 0.9300 . ?
C26 C25 1.371(6) . ?
C11 H11 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.383(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.367(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.398(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.387(6) . ?
C35 H35 0.9300 . ?
C35 C36 1.369(6) . ?
C16 H16 0.9300 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C8 H8 0.9300 . ?
C8 C7 1.363(6) . ?
C36 H36 0.9300 . ?
C36 C37 1.375(6) . ?
C20 H20 0.9300 . ?
C20 C19 1.381(5) . ?
C7 H7 0.9300 . ?
C7 C6 1.411(6) . ?
C6 H6 0.9300 . ?
C25 H25 0.9300 . ?
C25 C24 1.364(6) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C24 H24 0.9300 . ?
C37 H37 0.9300 . ?
C30 H30 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.384(6) . ?
C19 H19 0.9300 . ?
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 P2 C27 C32 43.4(3) 2_666 . . . ?
Rh1 P2 C27 C28 -141.8(2) 2_666 . . . ?
Rh1 P2 C4 N2 -66.8(3) 2_666 . . . ?
Rh1 P2 C33 C38 64.4(3) 2_666 . . . ?
Rh1 P2 C33 C34 -117.1(3) 2_666 . . . ?
Rh1 P1 C21 C26 65.5(3) . . . . ?
Rh1 P1 C21 C22 -104.6(3) . . . . ?
Rh1 P1 C15 C16 172.6(3) . . . . ?
Rh1 P1 C15 C20 -13.5(4) . . . . ?
Rh1 P1 C2 N1 -172.4(2) . . . . ?
P2 C27 C32 C31 174.2(3) . . . . ?
P2 C27 C28 C29 -174.1(3) . . . . ?
P2 C33 C38 C37 177.0(3) . . . . ?
P2 C33 C34 C35 -177.8(3) . . . . ?
P1 C21 C26 C25 -171.1(3) . . . . ?
P1 C21 C22 C23 170.4(3) . . . . ?
P1 C15 C16 C17 174.0(3) . . . . ?
P1 C15 C20 C19 -174.0(3) . . . . ?
N1 C5 C6 C7 175.5(3) . . . . ?
C14 C5 C6 C7 -0.3(5) . . . . ?
C14 C9 C10 C11 -0.7(5) . . . . ?
C14 C9 C8 C7 0.8(5) . . . . ?
C13 N2 C4 P2 -93.3(3) . . . . ?
C13 N2 C3 N1 -45.7(5) . . . . ?
C13 C14 C5 N1 3.0(5) . . . . ?
C13 C14 C5 C6 179.1(3) . . . . ?
C13 C14 C9 C10 -1.4(5) . . . . ?
C13 C14 C9 C8 -179.4(3) . . . . ?
C13 C12 C11 C10 0.5(5) . . . . ?
C27 P2 C4 N2 62.1(3) . . . . ?
C27 P2 C33 C38 -66.6(3) . . . . ?
C27 P2 C33 C34 111.9(3) . . . . ?
C27 C32 C31 C30 0.0(5) . . . . ?
C27 C28 C29 C30 0.1(5) . . . . ?
C5 N1 C2 P1 -106.2(3) . . . . ?
C5 N1 C3 N2 51.2(5) . . . . ?
C5 C14 C13 N2 3.8(5) . . . . ?
C5 C14 C13 C12 -175.0(3) . . . . ?
C5 C14 C9 C10 176.8(3) . . . . ?
C5 C14 C9 C8 -1.2(5) . . . . ?
C4 P2 C27 C32 -81.7(3) . . . . ?
C4 P2 C27 C28 93.1(3) . . . . ?
C4 P2 C33 C38 -173.0(3) . . . . ?
C4 P2 C33 C34 5.5(3) . . . . ?
C4 N2 C13 C14 178.1(3) . . . . ?
C4 N2 C13 C12 -3.1(5) . . . . ?
C4 N2 C3 N1 152.9(3) . . . . ?
C9 C14 C13 N2 -178.0(3) . . . . ?
C9 C14 C13 C12 3.2(5) . . . . ?
C9 C14 C5 N1 -175.1(3) . . . . ?
C9 C14 C5 C6 0.9(5) . . . . ?
C9 C10 C11 C12 1.2(5) . . . . ?
C9 C8 C7 C6 -0.2(6) . . . . ?
C33 P2 C27 C32 171.1(2) . . . . ?
C33 P2 C27 C28 -14.1(3) . . . . ?
C33 P2 C4 N2 170.5(2) . . . . ?
C33 C38 C37 C36 1.1(6) . . . . ?
C33 C34 C35 C36 0.7(6) . . . . ?
C32 C27 C28 C29 0.7(5) . . . . ?
C32 C31 C30 C29 0.8(5) . . . . ?
C21 P1 C15 C16 45.3(4) . . . . ?
C21 P1 C15 C20 -140.7(3) . . . . ?
C21 P1 C2 N1 -51.1(3) . . . . ?
C21 C26 C25 C24 0.2(6) . . . . ?
C21 C22 C23 C24 0.4(6) . . . . ?
C28 C27 C32 C31 -0.8(5) . . . . ?
C28 C29 C30 C31 -0.9(5) . . . . ?
C10 C9 C8 C7 -177.1(4) . . . . ?
C15 P1 C21 C26 -165.1(3) . . . . ?
C15 P1 C21 C22 24.8(4) . . . . ?
C15 P1 C2 N1 61.9(3) . . . . ?
C15 C20 C19 C18 -0.3(7) . . . . ?
C17 C18 C19 C20 0.0(7) . . . . ?
C38 C33 C34 C35 0.6(5) . . . . ?
C26 C21 C22 C23 0.1(5) . . . . ?
C26 C25 C24 C23 0.4(6) . . . . ?
C11 C12 C13 N2 178.5(3) . . . . ?
C11 C12 C13 C14 -2.7(5) . . . . ?
C22 C21 C26 C25 -0.5(6) . . . . ?
C22 C23 C24 C25 -0.7(6) . . . . ?
C34 C33 C38 C37 -1.5(6) . . . . ?
C34 C35 C36 C37 -1.1(6) . . . . ?
C35 C36 C37 C38 0.2(6) . . . . ?
C16 C15 C20 C19 0.2(6) . . . . ?
C16 C17 C18 C19 0.3(7) . . . . ?
C2 P1 C21 C26 -53.3(3) . . . . ?
C2 P1 C21 C22 136.7(3) . . . . ?
C2 P1 C15 C16 -66.4(4) . . . . ?
C2 P1 C15 C20 107.5(3) . . . . ?
C2 N1 C5 C14 -162.3(3) . . . . ?
C2 N1 C5 C6 21.8(5) . . . . ?
C2 N1 C3 N2 -173.0(3) . . . . ?
C8 C9 C10 C11 177.2(3) . . . . ?
C8 C7 C6 C5 -0.1(6) . . . . ?
C20 C15 C16 C17 0.2(6) . . . . ?
C3 N2 C13 C14 17.9(4) . . . . ?
C3 N2 C13 C12 -163.3(3) . . . . ?
C3 N2 C4 P2 67.1(4) . . . . ?
C3 N1 C5 C14 -30.5(4) . . . . ?
C3 N1 C5 C6 153.6(4) . . . . ?
C3 N1 C2 P1 120.4(3) . . . . ?
C18 C17 C16 C15 -0.4(7) . . . . ?
