Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a practical and efficient route to organo gold(I) complexes.
Vesseur, David; Li, Shuo; Mallet-Ladeira, Sonia; Bourissou, Didier; Chemical communications (Cambridge, England) 61 (2025) 18717–18720; doi:10.1039/d5cc05744b

data_7135197
_publ_section_title
;
 Ligand exchange of tris(2,4-di-<i>tert</i>-butylphenyl) phosphite: a
 practical and efficient route to organo gold(I) complexes.
;
_journal_issue                   94
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              18717
_journal_page_last               18720
_journal_paper_doi               10.1039/d5cc05744b
_journal_volume                  61
_journal_year                    2025
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C19 H46 Au B10 F3 N4 P2'
_chemical_formula_sum            'C19 H46 Au B10 F3 N4 P2'
_chemical_formula_weight         754.60
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2025-08-26 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                98.078(2)
_cell_angle_beta                 92.088(2)
_cell_angle_gamma                91.572(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1568(7)
_cell_length_b                   11.9327(8)
_cell_length_c                   13.4874(9)
_cell_measurement_reflns_used    6470
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      20.91
_cell_measurement_theta_min      2.93
_cell_volume                     1616.48(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa APEX II-CCD detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1006
_diffrn_reflns_av_unetI/netI     0.1178
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            59541
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.280
_diffrn_reflns_theta_min         3.053
_diffrn_source                   'Incoatec microfocus sealed tube'
_exptl_absorpt_coefficient_mu    4.685
_exptl_absorpt_correction_T_max  0.7383
_exptl_absorpt_correction_T_min  0.6548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_description       needle
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.954
_refine_diff_density_min         -1.158
_refine_diff_density_rms         0.159
_refine_ls_abs_structure_details
; 
 Flack x determined using 3994 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.008(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     773
_refine_ls_number_reflns         15618
_refine_ls_number_restraints     171
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0497
_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^)+(0.0190P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0850
_reflns_Friedel_coverage         0.955
_reflns_Friedel_fraction_full    0.971
_reflns_Friedel_fraction_max     0.952
_reflns_number_gt                11138
_reflns_number_total             15618
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc05744b2.cif
_cod_data_source_block           DV658_b
_cod_database_code               7135197
_shelx_shelxl_version_number     2019/2
_shelx_estimated_absorpt_t_min   0.486
_shelx_estimated_absorpt_t_max   0.872
_shelx_res_checksum              96620