The case of a μ<sub>2</sub>-P aromatic phosphinine as a 4-electron donor forming σ- and π-three-center-two-electron bonds.
Zhang, Jie; Hou, Yuanfeng; Liu, Shihua; Lin, Jieli; Li, Zhongshu; Dalton transactions (Cambridge, England : 2003) 53 (2024) 5608–5615; doi:10.1039/d4dt00228h

data_7715204
_publ_section_title
;
 The case of a &#x3bc;<sub>2</sub>-P aromatic phosphinine as a 4-electron
 donor forming &#x3c3;- and &#x3c0;-three-center-two-electron bonds.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5608
_journal_page_last               5615
_journal_paper_doi               10.1039/d4dt00228h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         '2(C51 H36 O3 P4 Rh), 2(Cl4 Ga), 2(C H2 Cl2)'
_chemical_formula_sum            'C104 H76 Cl12 Ga2 O6 P8 Rh2'
_chemical_formula_weight         2440.06
_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
_audit_creation_date             2023-09-15
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2023-10-20 deposited with the CCDC.	2024-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                98.6030(10)
_cell_angle_beta                 106.9000(10)
_cell_angle_gamma                92.9220(10)
_cell_formula_units_Z            2
_cell_length_a                   15.28780(10)
_cell_length_b                   16.0822(2)
_cell_length_c                   22.0950(2)
_cell_measurement_reflns_used    42321
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      73.7550
_cell_measurement_theta_min      2.7830
_cell_volume                     5113.54(9)
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     59.00  85.00   0.50    0.50    --    0.00  57.00-150.00   52
  2  \w    -28.00  55.00   0.50    0.50    --    0.00  77.00 -30.00  166
  3  \w    -19.00  37.00   0.50    0.50    --    0.00  57.00-150.00  112
  4  \w    -87.00 -50.00   0.50    0.50    --    0.00 -57.00   0.00   74
  5  \w    -13.00  49.00   0.50    0.50    --    0.00  38.00 -60.00  124
  6  \w     17.00  89.00   0.50    0.50    --    0.00  57.00  90.00  144
  7  \w    -14.00  42.00   0.50    0.50    --    0.00  57.00-120.00  112
  8  \w     72.00  98.00   0.50    2.00    --   95.20 -82.00  60.00   52
  9  \w      7.00  34.00   0.50    2.00    --   95.20 -82.00  60.00   54
 10  \w      6.00  56.00   0.50    2.00    --   95.20 -30.00 150.00  100
 11  \w     49.00 127.00   0.50    2.00    --   95.20 -82.00 -90.00  156
 12  \w     11.00 119.00   0.50    2.00    --   95.20 -61.00 -90.00  216
 13  \w      7.00 110.00   0.50    2.00    --   95.20 -82.00-150.00  206
 14  \w      6.00  59.00   0.50    2.00    --   95.20 -61.00  30.00  106
 15  \w     11.00 118.00   0.50    2.00    --   95.20 -82.00  90.00  214
 16  \w      6.00 107.00   0.50    2.00    --   95.20 -30.00  60.00  202
 17  \w     63.00 119.00   0.50    2.00    --   95.20 -61.00 -30.00  112
 18  \w      6.00  59.00   0.50    2.00    --   95.20 -61.00 -30.00  106
 19  \w     72.00 167.00   0.50    2.00    --   95.20  15.00-180.00  190
 20  \w     27.00 105.00   0.50    2.00    --   95.20 -61.00  90.00  156
 21  \w    137.00 176.00   0.50    2.00    --   95.20  15.00 -60.00   78
 22  \w     95.00 121.00   0.50    2.00    --   95.20 -82.00 150.00   52
 23  \w     78.00 121.00   0.50    2.00    --   95.20  15.00 -60.00   86
 24  \w     12.00  91.00   0.50    2.00    --   95.20 -61.00-150.00  158
 25  \w     84.00 110.00   0.50    2.00    --   95.20 -82.00   0.00   52
 26  \w     67.00 109.00   0.50    2.00    --   95.20 -30.00 150.00   84
 27  \w     94.00 120.00   0.50    2.00    --   95.20 -82.00 -30.00   52
 28  \w     31.00  56.00   0.50    2.00    --   95.20 -82.00 -30.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0517510000
_diffrn_orient_matrix_UB_12      -0.0792076000
_diffrn_orient_matrix_UB_13      0.0087317000
_diffrn_orient_matrix_UB_21      -0.0321588000
_diffrn_orient_matrix_UB_22      -0.0297152000
_diffrn_orient_matrix_UB_23      -0.0732792000
_diffrn_orient_matrix_UB_31      0.0865530000
_diffrn_orient_matrix_UB_32      0.0482080000
_diffrn_orient_matrix_UB_33      -0.0051162000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            59935
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        66.010
_diffrn_reflns_theta_max         66.010
_diffrn_reflns_theta_min         2.793
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    7.671
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear greenish green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_description       block
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.935
_refine_diff_density_min         -1.593
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1210
_refine_ls_number_reflns         17731
_refine_ls_number_restraints     128
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0451
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0584P)^2^+16.5138P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1184
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16764
_reflns_number_total             17731
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00228h2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7715202--7715205.cif.'
_cod_database_code               7715204
_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C1AA-Cl4A
 1.7 with sigma of 0.02
 C1AA-Cl5A
 1.7 with sigma of 0.02
 C0AA-Cl3A
 1.7 with sigma of 0.02
 C0AA-Cl1A
 1.7 with sigma of 0.02
3. Rigid bond restraints
 Cl4A, Cl5A, C1AA, Cl1A, Cl3A, C0AA
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C53, C54, C98, C99, C99, C100
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
Cl4A \\sim Cl5A \\sim C1AA \\sim Cl1A \\sim Cl3A \\sim C0AA: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(C1AA) \\sim Ueq, Uanis(Cl4A) \\sim Ueq, Uanis(Cl5A) \\sim Ueq,
Uanis(C0AA) \\sim Ueq, Uanis(Cl1A) \\sim Ueq, Uanis(Cl3A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C52) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C99)
\\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C101) \\sim Ueq: with sigma of 0.001
and sigma for terminal atoms of 0.002
Uanis(Cl3A) = Uanis(Cl5A) = Uanis(Cl1A) = Uanis(Cl4A)
Uanis(C1AA) = Uanis(C0AA)
5. Others
 Fixed Sof: Cl4A(0.5) Cl5A(0.5) C1AA(0.5) H1AA(0.5) H1AB(0.5) Cl1A(0.5)
 Cl3A(0.5) C0AA(0.5) H0AA(0.5) H0AB(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C2AA(H2AA,H2AB), C1AA(H1AA,H1AB), C0AA(H0AA,H0AB)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C7(H7), C9(H9), C12(H12), C14(H14), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
  C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C50(H50), C51(H51),
 C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C17(H17), C19(H19),
 C22(H22), C24(H24), C27(H27), C29(H29), C68(H68), C69(H69), C70(H70), C71(H71),
  C72(H72), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78), C79(H79),
 C81(H81), C82(H82), C83(H83), C84(H84), C86(H86), C87(H87), C88(H88), C89(H89),
  C90(H90), C92(H92), C93(H93), C94(H94), C95(H95), C96(H96), C97(H97),
 C99(H99), C100(H100), C101(H101), C102(H102)
;
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.315
_oxdiff_exptl_absorpt_empirical_full_min 0.835