Gold(i) complexes with heteroaryl phosphine ligands.
Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 2397–2405; doi:10.1039/c3dt52893f

data_7028739
_publ_section_title
;
 Gold(i) complexes with heteroaryl phosphine ligands.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2397
_journal_page_last               2405
_journal_paper_doi               10.1039/c3dt52893f
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C21 H17 Au Cl N4 P, C H2 Cl2'
_chemical_formula_sum            'C22 H19 Au Cl3 N4 P'
_chemical_formula_weight         673.70
_chemical_name_systematic
;
  ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                87.414(3)
_cell_angle_beta                 71.501(3)
_cell_angle_gamma                82.113(3)
_cell_formula_units_Z            2
_cell_length_a                   10.0659(4)
_cell_length_b                   11.2041(4)
_cell_length_c                   11.2375(4)
_cell_measurement_reflns_used    21074
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.57
_cell_measurement_theta_min      1.84
_cell_volume                     1190.50(8)
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_molecular_graphics    'Diamond 3.2g'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11647
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    6.600
_exptl_absorpt_correction_T_max  0.4683
_exptl_absorpt_correction_T_min  0.1280
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.409
_exptl_crystal_size_mid          0.241
_exptl_crystal_size_min          0.126
_refine_diff_density_max         1.145
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.080
_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     356
_refine_ls_number_reflns         4397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0206
_refine_ls_R_factor_gt           0.0197
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0261P)^2^+0.5304P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0486
_refine_ls_wR_factor_ref         0.0490
_reflns_number_gt                4260
_reflns_number_total             4397
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52893f.txt
_cod_data_source_block           3
_cod_original_cell_volume        1190.51(8)
_cod_database_code               7028739