Chlorido{[(<i>E</i>)-2-(diphenylphosphanyl)benzylidene](furan-2-ylmethyl)amine-κ<i>P</i>}gold(I)
Chiririwa, Haleden; Davis, Wade L.; Acta Crystallographica Section E 69 (2013) m53–; doi:10.1107/S1600536812050404

data_2237258
_publ_section_title
;
 Chlorido{[(<i>E</i>)-2-(diphenylphosphanyl)benzylidene](furan-2-ylmethyl)amine-\k<i>P</i>}gold(I)
;
_journal_coeditor_code           YK2081
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m53
_journal_paper_doi               10.1107/S1600536812050404
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Au Cl (C24 H20 N O P)]'
_chemical_formula_moiety         'C24 H20 Au Cl N O P'
_chemical_formula_sum            'C24 H20 Au Cl N O P'
_chemical_formula_weight         601.80
_chemical_name_systematic
;
Chlorido{[(<i>E</i>)-2-(diphenylphosphanyl)benzylidene](furan-2-
ylmethyl)amine-\k<i>P</i>}gold(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.7510(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4559(4)
_cell_length_b                   10.3917(2)
_cell_length_c                   17.2641(4)
_cell_measurement_reflns_used    5534
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      3.55
_cell_volume                     2242.16(10)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII 4K CCD'
_diffrn_measurement_method       '0.5\%  \w scans, 20s'
_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  0.1002
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            74340
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.766
_exptl_absorpt_correction_T_max  0.8765
_exptl_absorpt_correction_T_min  0.4107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.273
_refine_diff_density_min         -1.517
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5536
_refine_ls_number_restraints     240
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0574P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                4175
_reflns_number_total             5536
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            yk2081.cif
_cod_data_source_block           I
_cod_original_cell_volume        2242.16(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2237258
_cod_database_fobs_code          2237258