Gold(I) complexes of 2-(diphenylphosphino)aniline: synthesis and influence of the perhalophenyl ligand on their assembly.
Coconubo-Guio, Laura; Moreno, Sonia; Monge, Miguel; Olmos, M. Elena; Lopéz-de-Luzuriaga, José M; Dalton transactions (Cambridge, England : 2003) 54 (2025) 15923–15932; doi:10.1039/d5dt01563d

data_7719587
_publ_section_title
;
 Gold(I) complexes of 2-(diphenylphosphino)aniline: synthesis and
 influence of the perhalophenyl ligand on their assembly.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15923
_journal_page_last               15932
_journal_paper_doi               10.1039/d5dt01563d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C24 H16 Au F5 N P'
_chemical_formula_sum            'C24 H16 Au F5 N P'
_chemical_formula_weight         641.31
_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_method           SHELXL-2014/7
_audit_update_record
;
2025-09-12 deposited with the CCDC.	2025-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.012(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9453(7)
_cell_length_b                   12.0802(10)
_cell_length_c                   22.847(2)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    118(2)
_cell_measurement_theta_max      27.12
_cell_measurement_theta_min      2.47
_cell_volume                     2171.5(3)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      118(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0679
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            41168
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.965
_diffrn_reflns_theta_min         2.467
_exptl_absorpt_coefficient_mu    6.903
_exptl_absorpt_correction_T_max  0.0294
_exptl_absorpt_correction_T_min  0.0086
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1026 before and 0.0771 after correction.
The Ratio of minimum to maximum transmission is 0.2925.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.962
_exptl_crystal_description       needle
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.026
_exptl_crystal_size_min          0.014
_refine_diff_density_max         1.295
_refine_diff_density_min         -2.029
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.216
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         5200
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.216
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0678
_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/[\s^2^(Fo^2^)+(0.0092P)^2^+27.0411P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1443
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3849
_reflns_number_total             5200
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01563d2.cif
_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7719584--7719587.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7719587
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.682
_shelx_estimated_absorpt_t_max   0.910
_shelx_res_checksum              85187
_shelx_hkl_checksum              23194