#------------------------------------------------------------------------------
#$Date: 2025-11-29 22:09:04 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303820 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/95/7719508.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_7719508
loop_
_publ_author_name
'Li, Zhongshu'
'Borger, Jaap E.'
'Gianetti, Thomas L.'
'Müller, Fabian'
'Pribanic, Bruno'
'Coburger, Peter'
'Grützmacher, Hansjörg'
_publ_section_title
;
 Sodium phosphaethynolate as P-source for the synthesis of molecular
 rhodium phosphides: an exploratory study.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16718
_journal_page_last               16726
_journal_paper_doi               10.1039/d5dt02274f
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C49 H38 N O P2 Rh'
_chemical_formula_sum            'C49 H38 N O P2 Rh'
_chemical_formula_weight         821.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-01-10
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_audit_update_record
;
2019-01-10 deposited with the CCDC.	2025-09-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 105.834(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            2
_cell_length_a                   9.541(5)
_cell_length_b                   17.905(5)
_cell_length_c                   11.316(5)
_cell_measurement_reflns_used    9797
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.49
_cell_volume                     1859.8(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker Photon 100 area detector'
_diffrn_detector_area_resol_mean 10.24
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'kappa-stage diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'double mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            35758
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.408
_diffrn_reflns_theta_min         2.189
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    0.586
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0605 before and 0.0551 after correction.
The Ratio of minimum to maximum transmission is 0.8858.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_description       block
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.343
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         3940
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0241
_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)+(0.0201P)²+2.0553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0592
_refine_ls_wR_factor_ref         0.0614
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3606
_reflns_number_total             3940
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt02274f2.cif
_cod_data_source_block           mo_tlgxr86
_cod_depositor_comments
'Adding full bibliography for 7719506--7719510.cif.'
_cod_database_code               7719508
_shelx_shelxl_version_number     2014/7
_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 N(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C23B) = Uanis(C23A)
3. Others
 Sof(C25)=Sof(H25)=Sof(C26)=Sof(H26)=Sof(C24)=Sof(H24)=Sof(C28)=Sof(H28)=
 Sof(C27)=Sof(H27)=1-FVAR(1)
 Sof(C30)=Sof(H30)=Sof(C29)=Sof(H29)=Sof(C31)=Sof(H31)=Sof(C33)=Sof(H33)=
 Sof(C32)=Sof(H32)=FVAR(1)
 Sof(C23B)=1-FVAR(2)
 Sof(C23A)=FVAR(2)
 Fixed Sof: O1(0.5) C1(0.5) C17(0.5) C22(0.5) H22(0.5) C21(0.5) H21(0.5)
 C20(0.5) H20(0.5) C19(0.5) H19(0.5) C18(0.5) H18(0.5)
4.a Ternary CH refined with riding coordinates:
 N1(H1), C2(H2), C6(H6), C5(H5)
4.b Aromatic/amide H refined with riding coordinates:
 C15(H15), C14(H14), C16(H16), C12(H12), C13(H13), C9(H9), C10(H10), C11(H11),
 C30(H30), C29(H29), C31(H31), C25(H25), C26(H26), C24(H24), C33(H33), C32(H32),
  C28(H28), C27(H27), C22(H22), C21(H21), C20(H20), C19(H19), C18(H18)
4.c Fitted hexagon refined as free rotating group:
 C17(C22,C21,C20,C19,C18)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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 0.41487(2) 0.2500 -0.03399(2) 0.01270(6) Uani 1 2 d S T P A .
P2 P 0.50336(6) 0.2500 0.17356(5) 0.01050(12) Uani 1 2 d S T P . .
P1 P 0.15372(7) 0.2500 -0.03367(6) 0.02448(16) Uani 1 2 d S T P . .
C8 C 0.5167(2) 0.33544(12) -0.27791(18) 0.0244(4) Uani 1 1 d . . . . .
N1 N 0.3295(2) 0.2500 -0.23324(19) 0.0207(5) Uani 1 2 d S T P . .
H1 H 0.2215 0.2500 -0.2463 0.025 Uiso 1 2 calc RS T P A .
C2 C 0.3562(2) 0.31970(13) -0.29985(17) 0.0255(4) Uani 1 1 d . . . . .
H2 H 0.3148 0.3106 -0.3898 0.031 Uiso 1 1 calc R . . . .
C15 C 0.8143(2) 0.36116(12) -0.2421(2) 0.0305(5) Uani 1 1 d . . . . .
H15 H 0.9159 0.3688 -0.2295 0.037 Uiso 1 1 calc R . . . .
C6 C 0.55319(19) 0.34603(10) -0.04862(17) 0.0182(4) Uani 1 1 d . . . . .
H6 H 0.6321 0.3552 0.0287 0.022 Uiso 1 1 calc R . . A .
C3 C 0.2752(2) 0.38496(13) -0.26573(18) 0.0291(5) Uani 1 1 d . . . . .
C14 C 0.7240(2) 0.35355(13) -0.3596(2) 0.0343(5) Uani 1 1 d . . . . .
H14 H 0.7629 0.3572 -0.4282 0.041 Uiso 1 1 calc R . . . .
C4 C 0.3053(2) 0.40876(12) -0.14324(18) 0.0251(4) Uani 1 1 d . . . . .
C23B C 0.4371(13) 0.3244(7) 0.2560(12) 0.0105(12) Uani 0.480(14) 1 d . . . A 1
C16 C 0.7562(2) 0.35760(11) -0.14275(19) 0.0241(4) Uani 1 1 d . . . . .
H16 H 0.8190 0.3631 -0.0621 0.029 Uiso 1 1 calc R . . . .
C12 C 0.2293(2) 0.47030(13) -0.1150(2) 0.0345(5) Uani 1 1 d . . . . .
H12 H 0.2480 0.4864 -0.0321 0.041 Uiso 1 1 calc R . . . .
C13 C 0.5760(2) 0.34052(14) -0.3776(2) 0.0338(5) Uani 1 1 d . . . . .
H13 H 0.5145 0.3350 -0.4587 0.041 Uiso 1 1 calc R . . . .
C7 C 0.6072(2) 0.34605(10) -0.15809(17) 0.0203(4) Uani 1 1 d . . . . .
C5 C 0.41504(19) 0.37265(10) -0.04206(16) 0.0185(4) Uani 1 1 d . . . . .
H5 H 0.4198 0.3959 0.0393 0.022 Uiso 1 1 calc R . . A .
C9 C 0.1708(2) 0.42316(17) -0.3564(2) 0.0445(7) Uani 1 1 d . . . . .
H9 H 0.1497 0.4069 -0.4393 0.053 Uiso 1 1 calc R . . . .
C10 C 0.0974(3) 0.48452(19) -0.3271(2) 0.0555(9) Uani 1 1 d . . . . .
H10 H 0.0272 0.5101 -0.3897 0.067 Uiso 1 1 calc R . . . .
C11 C 0.1271(3) 0.50807(17) -0.2064(2) 0.0505(8) Uani 1 1 d . . . . .
H11 H 0.0776 0.5501 -0.1860 0.061 Uiso 1 1 calc R . . . .
O1 O 0.0865(3) 0.11604(17) 0.0451(3) 0.0314(7) Uani 0.5 1 d . . . A -2
C1 C 0.1195(4) 0.1738(2) 0.0114(3) 0.0205(8) Uani 0.5 1 d . . . A -2
C30 C 0.2566(4) 0.3793(2) 0.3421(3) 0.0227(10) Uani 0.506(4) 1 d . . . A 1
H30 H 0.1672 0.3746 0.3632 0.027 Uiso 0.506(4) 1 calc R . . A 1
C29 C 0.3116(4) 0.3187(2) 0.2920(3) 0.0191(9) Uani 0.506(4) 1 d . . . A 1
H29 H 0.2610 0.2724 0.2826 0.023 Uiso 0.506(4) 1 calc R . . A 1
C31 C 0.3305(6) 0.4459(3) 0.3613(4) 0.0265(10) Uani 0.506(4) 1 d . . . A 1
H31 H 0.2929 0.4868 0.3966 0.032 Uiso 0.506(4) 1 calc R . . A 1
C25 C 0.2946(5) 0.4273(2) 0.2821(5) 0.0266(11) Uani 0.494(4) 1 d . . . A 2
H25 H 0.1972 0.4412 0.2777 0.032 Uiso 0.494(4) 1 calc R . . A 2
C26 C 0.4085(7) 0.4739(3) 0.3381(5) 0.0270(13) Uani 0.494(4) 1 d . . . A 2
H26 H 0.3894 0.5200 0.3721 0.032 Uiso 0.494(4) 1 calc R . . A 2
C24 C 0.3233(4) 0.3600(2) 0.2323(4) 0.0185(9) Uani 0.494(4) 1 d . . . A 2
H24 H 0.2451 0.3289 0.1897 0.022 Uiso 0.494(4) 1 calc R . . A 2
C33 C 0.5132(6) 0.3935(3) 0.2750(5) 0.0202(11) Uani 0.506(4) 1 d . . . A 1
H33 H 0.6005 0.3988 0.2507 0.024 Uiso 0.506(4) 1 calc R . . A 1
C32 C 0.4608(8) 0.4537(3) 0.3289(5) 0.0231(12) Uani 0.506(4) 1 d . . . A 1
H32 H 0.5133 0.4994 0.3434 0.028 Uiso 0.506(4) 1 calc R . . A 1
C28 C 0.5789(6) 0.3871(3) 0.2986(5) 0.0155(10) Uani 0.494(4) 1 d . . . A 2
H28 H 0.6767 0.3739 0.3031 0.019 Uiso 0.494(4) 1 calc R . . A 2
C27 C 0.5508(7) 0.4536(2) 0.3452(4) 0.0263(11) Uani 0.494(4) 1 d . . . A 2
H27 H 0.6287 0.4863 0.3825 0.032 Uiso 0.494(4) 1 calc R . . A 2
C17 C 0.70281(15) 0.2405(3) 0.24110(17) 0.0139(10) Uani 0.5 1 d . . . A -2
C22 C 0.7536(2) 0.23182(16) 0.36768(17) 0.0189(10) Uani 0.5 1 d G . . A -2
H22 H 0.6868 0.2303 0.4163 0.023 Uiso 0.5 1 calc R . . A -2
C21 C 0.9022(2) 0.22527(16) 0.42305(14) 0.0241(9) Uani 0.5 1 d G . . A -2
H21 H 0.9369 0.2193 0.5096 0.029 Uiso 0.5 1 calc R . . A -2
C20 C 1.00004(16) 0.22745(16) 0.35185(19) 0.0241(9) Uani 0.5 1 d G . . A -2
H20 H 1.1016 0.2230 0.3897 0.029 Uiso 0.5 1 calc R . . A -2
C19 C 0.94925(19) 0.2362(2) 0.22528(18) 0.0169(13) Uani 0.5 1 d G . . A -2
H19 H 1.0161 0.2377 0.1766 0.020 Uiso 0.5 1 calc R . . A -2
C18 C 0.8006(2) 0.2427(3) 0.16990(13) 0.0140(8) Uani 0.5 1 d G . . A -2
H18 H 0.7659 0.2487 0.0834 0.017 Uiso 0.5 1 calc R . . A -2
C23A C 0.4673(12) 0.3380(6) 0.2447(11) 0.0105(12) Uani 0.520(14) 1 d . . . A 2
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'
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 P1 95.07(3) . . ?
N1 Rh1 P2 179.89(6) . . ?
N1 Rh1 P1 84.83(6) . . ?
N1 Rh1 C6 89.12(6) . . ?
N1 Rh1 C6 89.12(6) . 4_565 ?
N1 Rh1 C5 87.78(5) . 4_565 ?
N1 Rh1 C5 87.78(5) . . ?
C6 Rh1 P2 90.94(5) 4_565 . ?
C6 Rh1 P2 90.94(5) . . ?
C6 Rh1 P1 128.33(5) . . ?
C6 Rh1 P1 128.33(5) 4_565 . ?
C6 Rh1 C6 102.73(10) . 4_565 ?
C5 Rh1 P2 92.22(5) 4_565 . ?
C5 Rh1 P2 92.22(5) . . ?
C5 Rh1 P1 90.70(5) 4_565 . ?
C5 Rh1 P1 90.70(5) . . ?
C5 Rh1 C6 140.36(7) 4_565 . ?
C5 Rh1 C6 37.73(7) . . ?
C5 Rh1 C6 37.73(7) 4_565 4_565 ?
C5 Rh1 C6 140.36(7) . 4_565 ?
C5 Rh1 C5 175.21(9) . 4_565 ?
C23B P2 Rh1 116.3(4) . . ?
C23B P2 Rh1 116.3(4) 4_565 . ?
C23B P2 C23B 93.1(6) 4_565 . ?
C17 P2 Rh1 118.47(7) . . ?
C23A P2 Rh1 113.0(4) 4_565 . ?
C23A P2 Rh1 113.0(4) . . ?
C23A P2 C17 92.0(4) 4_565 . ?
C23A P2 C17 101.0(4) . . ?
C23A P2 C23A 117.4(6) 4_565 . ?
C1 P1 Rh1 107.84(14) . . ?
C13 C8 C2 119.73(18) . . ?
C13 C8 C7 119.50(19) . . ?
C7 C8 C2 120.76(17) . . ?
Rh1 N1 H1 103.4 . . ?
C2 N1 Rh1 116.66(11) . . ?
C2 N1 Rh1 116.66(11) 4_565 . ?
C2 N1 H1 103.4 4_565 . ?
C2 N1 H1 103.4 . . ?
C2 N1 C2 110.9(2) . 4_565 ?
C8 C2 N1 111.88(16) . . ?
C8 C2 H2 107.4 . . ?
N1 C2 H2 107.4 . . ?
C3 C2 C8 112.41(18) . . ?
C3 C2 N1 110.08(15) . . ?
C3 C2 H2 107.4 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.66(19) . . ?
C16 C15 H15 120.2 . . ?
Rh1 C6 H6 112.7 . . ?
C7 C6 Rh1 114.84(13) . . ?
C7 C6 H6 112.7 . . ?
C5 C6 Rh1 71.02(10) . . ?
C5 C6 H6 112.7 . . ?
C5 C6 C7 126.03(16) . . ?
C4 C3 C2 120.48(17) . . ?
C9 C3 C2 120.2(2) . . ?
C9 C3 C4 119.3(2) . . ?
C15 C14 H14 120.0 . . ?
C15 C14 C13 120.01(19) . . ?
C13 C14 H14 120.0 . . ?
C3 C4 C12 119.00(18) . . ?
C3 C4 C5 123.01(18) . . ?
C12 C4 C5 117.99(19) . . ?
C29 C23B P2 123.2(8) . . ?
C29 C23B C33 118.1(11) . . ?
C33 C23B P2 118.5(7) . . ?
C15 C16 H16 119.2 . . ?
C15 C16 C7 121.63(19) . . ?
C7 C16 H16 119.2 . . ?
C4 C12 H12 119.5 . . ?
C11 C12 C4 120.9(2) . . ?
C11 C12 H12 119.5 . . ?
C8 C13 H13 119.6 . . ?
C14 C13 C8 120.8(2) . . ?
C14 C13 H13 119.6 . . ?
C8 C7 C6 123.35(17) . . ?
C16 C7 C8 118.32(18) . . ?
C16 C7 C6 118.33(18) . . ?
Rh1 C5 H5 112.2 . . ?
C6 C5 Rh1 71.25(10) . . ?
C6 C5 C4 125.37(16) . . ?
C6 C5 H5 112.2 . . ?
C4 C5 Rh1 117.53(14) . . ?
C4 C5 H5 112.2 . . ?
C3 C9 H9 119.5 . . ?
C10 C9 C3 121.0(2) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.7(2) . . ?
C11 C10 H10 120.1 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0(2) . . ?
C10 C11 H11 120.0 . . ?
O1 C1 P1 176.9(3) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C31 C30 C29 120.5(4) . . ?
C23B C29 C30 121.4(7) . . ?
C23B C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.1(4) . . ?
C32 C31 H31 120.0 . . ?
C26 C25 H25 120.2 . . ?
C26 C25 C24 119.5(4) . . ?
C24 C25 H25 120.2 . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.4(5) . . ?
C27 C26 H26 119.8 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23A 120.0(6) . . ?
C23A C24 H24 120.0 . . ?
C23B C33 H33 119.7 . . ?
C32 C33 C23B 120.6(7) . . ?
C32 C33 H33 119.7 . . ?
C31 C32 C33 119.2(5) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 H32 120.4 . . ?
C27 C28 H28 119.4 . . ?
C27 C28 C23A 121.2(7) . . ?
C23A C28 H28 119.4 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0(5) . . ?
C28 C27 H27 120.0 . . ?
C22 C17 P2 117.70(11) . . ?
C22 C17 C18 120.0 . . ?
C18 C17 P2 122.29(12) . . ?
C17 C22 H22 120.0 . . ?
C17 C22 C21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C24 C23A P2 119.4(7) . . ?
C28 C23A P2 121.4(8) . . ?
C28 C23A C24 118.7(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
Rh1 P2 2.2686(11) . ?
Rh1 P1 2.4926(15) . ?
Rh1 N1 2.178(2) . ?
Rh1 C6 2.2010(18) 4_565 ?
Rh1 C6 2.2010(18) . ?
Rh1 C5 2.1979(19) 4_565 ?
Rh1 C5 2.1979(19) . ?
P2 C23B 1.834(14) . ?
P2 C23B 1.834(14) 4_565 ?
P2 C17 1.8548(18) . ?
P2 C23A 1.844(13) 4_565 ?
P2 C23A 1.844(13) . ?
P1 C1 1.522(4) . ?
C8 C2 1.510(3) . ?
C8 C13 1.396(3) . ?
C8 C7 1.407(3) . ?
N1 H1 1.0000 . ?
N1 C2 1.515(2) 4_565 ?
N1 C2 1.515(2) . ?
C2 H2 1.0000 . ?
C2 C3 1.508(3) . ?
C15 H15 0.9500 . ?
C15 C14 1.380(3) . ?
C15 C16 1.384(3) . ?
C6 H6 1.0000 . ?
C6 C7 1.466(3) . ?
C6 C5 1.422(3) . ?
C3 C4 1.403(3) . ?
C3 C9 1.398(3) . ?
C14 H14 0.9500 . ?
C14 C13 1.390(3) . ?
C4 C12 1.403(3) . ?
C4 C5 1.474(3) . ?
C23B C29 1.370(11) . ?
C23B C33 1.422(11) . ?
C16 H16 0.9500 . ?
C16 C7 1.400(3) . ?
C12 H12 0.9500 . ?
C12 C11 1.388(3) . ?
C13 H13 0.9500 . ?
C5 H5 1.0000 . ?
C9 H9 0.9500 . ?
C9 C10 1.391(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(4) . ?
C11 H11 0.9500 . ?
O1 C1 1.176(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.392(5) . ?
C30 C31 1.372(7) . ?
C29 H29 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.395(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.379(8) . ?
C25 C24 1.390(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(7) . ?
C24 H24 0.9500 . ?
C24 C23A 1.399(13) . ?
C33 H33 0.9500 . ?
C33 C32 1.397(8) . ?
C32 H32 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.359(7) . ?
C28 C23A 1.387(11) . ?
C27 H27 0.9500 . ?
C17 C22 1.3900 . ?
C17 C18 1.3900 . ?
C22 H22 0.9500 . ?
C22 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C18 1.3900 . ?
C18 H18 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
Rh1 P2 C23B C29 86.6(9) . . . . ?
Rh1 P2 C23B C33 -88.2(9) . . . . ?
Rh1 P2 C17 C22 -172.59(18) . . . . ?
Rh1 P2 C17 C18 8.1(2) . . . . ?
Rh1 P2 C23A C24 62.1(8) . . . . ?
Rh1 P2 C23A C28 -110.5(8) . . . . ?
Rh1 N1 C2 C8 60.1(2) . . . . ?
Rh1 N1 C2 C3 -65.66(19) . . . . ?
Rh1 C6 C7 C8 50.1(2) . . . . ?
Rh1 C6 C7 C16 -130.26(16) . . . . ?
Rh1 C6 C5 C4 -110.96(19) . . . . ?
P2 C23B C29 C30 -172.8(6) . . . . ?
P2 C23B C33 C32 175.1(6) . . . . ?
P2 C17 C22 C21 -179.3(3) . . . . ?
P2 C17 C18 C19 179.3(3) . . . . ?
C8 C2 C3 C4 -64.9(2) . . . . ?
C8 C2 C3 C9 114.0(2) . . . . ?
N1 C2 C3 C4 60.5(3) . . . . ?
N1 C2 C3 C9 -120.6(2) . . . . ?
C2 C8 C13 C14 -178.8(2) . . . . ?
C2 C8 C7 C6 -2.8(3) . . . . ?
C2 C8 C7 C16 177.56(18) . . . . ?
C2 N1 C2 C8 -76.8(2) 4_565 . . . ?
C2 N1 C2 C3 157.48(13) 4_565 . . . ?
C2 C3 C4 C12 179.12(19) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
C2 C3 C9 C10 -178.5(2) . . . . ?
C15 C14 C13 C8 0.4(4) . . . . ?
C15 C16 C7 C8 2.1(3) . . . . ?
C15 C16 C7 C6 -177.54(18) . . . . ?
C3 C4 C12 C11 -0.9(3) . . . . ?
C3 C4 C5 Rh1 -46.0(2) . . . . ?
C3 C4 C5 C6 39.7(3) . . . . ?
C3 C9 C10 C11 -0.4(4) . . . . ?
C14 C15 C16 C7 0.3(3) . . . . ?
C4 C3 C9 C10 0.4(4) . . . . ?
C4 C12 C11 C10 0.9(4) . . . . ?
C23B P2 C23B C29 -34.9(13) 4_565 . . . ?
C23B P2 C23B C33 150.3(5) 4_565 . . . ?
C23B C33 C32 C31 -1.6(10) . . . . ?
C16 C15 C14 C13 -1.6(3) . . . . ?
C12 C4 C5 Rh1 134.82(17) . . . . ?
C12 C4 C5 C6 -139.4(2) . . . . ?
C13 C8 C2 N1 122.3(2) . . . . ?
C13 C8 C2 C3 -113.2(2) . . . . ?
C13 C8 C7 C6 176.39(19) . . . . ?
C13 C8 C7 C16 -3.3(3) . . . . ?
C7 C8 C2 N1 -58.5(3) . . . . ?
C7 C8 C2 C3 65.9(2) . . . . ?
C7 C8 C13 C14 2.1(3) . . . . ?
C7 C6 C5 Rh1 107.40(19) . . . . ?
C7 C6 C5 C4 -3.6(3) . . . . ?
C5 C6 C7 C8 -33.8(3) . . . . ?
C5 C6 C7 C16 145.86(19) . . . . ?
C5 C4 C12 C11 178.3(2) . . . . ?
C9 C3 C4 C12 0.2(3) . . . . ?
C9 C3 C4 C5 -179.0(2) . . . . ?
C9 C10 C11 C12 -0.3(4) . . . . ?
C30 C31 C32 C33 1.2(7) . . . . ?
C29 C23B C33 C32 0.0(13) . . . . ?
C29 C30 C31 C32 0.9(7) . . . . ?
C31 C30 C29 C23B -2.6(9) . . . . ?
C25 C26 C27 C28 -1.1(9) . . . . ?
C25 C24 C23A P2 -177.9(5) . . . . ?
C25 C24 C23A C28 -5.1(11) . . . . ?
C26 C25 C24 C23A 3.4(8) . . . . ?
C24 C25 C26 C27 -0.2(9) . . . . ?
C33 C23B C29 C30 2.1(13) . . . . ?
C27 C28 C23A P2 176.5(5) . . . . ?
C27 C28 C23A C24 3.7(12) . . . . ?
C17 P2 C23A C24 -170.3(7) . . . . ?
C17 P2 C23A C28 17.1(8) . . . . ?
C17 C22 C21 C20 0.0 . . . . ?
C22 C17 C18 C19 0.0 . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C20 C19 C18 C17 0.0 . . . . ?
C18 C17 C22 C21 0.0 . . . . ?
C23A P2 C17 C22 63.4(4) . . . . ?
C23A P2 C17 C22 -54.9(4) 4_565 . . . ?
C23A P2 C17 C18 125.7(4) 4_565 . . . ?
C23A P2 C17 C18 -115.9(4) . . . . ?
C23A P2 C23A C24 -72.2(11) 4_565 . . . ?
C23A P2 C23A C28 115.1(7) 4_565 . . . ?
C23A C28 C27 C26 -0.7(9) . . . . ?
