Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.
Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian; Dalton transactions (Cambridge, England : 2003) 49 (2020) 12354–12364; doi:10.1039/d0dt02435j

data_7705209
_publ_section_title
;
 Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12354
_journal_page_last               12364
_journal_paper_doi               10.1039/d0dt02435j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         '(C33 H42 P N3 Au)+, (P F6)-, 0.5 (C H2 Cl2)'
_chemical_formula_sum            'C33.5 H43 Au Cl F6 N3 P2'
_chemical_formula_weight         896.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-07 deposited with the CCDC.	2020-08-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.839(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.8546(13)
_cell_length_b                   11.6516(7)
_cell_length_c                   28.9714(18)
_cell_measurement_reflns_used    8379
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      66.59
_cell_measurement_theta_min      3.16
_cell_volume                     7131.3(8)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         microfocus
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            30362
_diffrn_reflns_point_group_measured_fraction_full 0.830
_diffrn_reflns_point_group_measured_fraction_max 0.830
_diffrn_reflns_theta_full        66.689
_diffrn_reflns_theta_max         66.689
_diffrn_reflns_theta_min         3.156
_exptl_absorpt_coefficient_mu    9.810
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.37
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_description       plate
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.127
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.039
_refine_diff_density_max         0.967
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.359(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     858
_refine_ls_number_reflns         10479
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0420
_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^)+(0.0664P)^2^+12.5322P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1023
_refine_ls_wR_factor_ref         0.1051
_reflns_Friedel_coverage         0.671
_reflns_Friedel_fraction_full    0.667
_reflns_Friedel_fraction_max     0.667
_reflns_number_gt                9830
_reflns_number_total             10479
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02435j2.cif
_cod_data_source_block           shelx_TerP(NMe2)2Au(py)_PF6_cmp5a
_cod_depositor_comments
'Adding full bibliography for 7705201--7705209.cif.'
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C33.50 H43 Au Cl F6 N3 P2'
_cod_database_code               7705209
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.369
_shelx_estimated_absorpt_t_max   0.701
_shelx_res_checksum              2515