μ-1,1'-Bis(diphenylphosphino)ferrocene-κ^2^<i>P</i>:<i>P</i>'-bis{[(<i>Z</i>)-<i>O</i>-isopropyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>]gold(I)} chloroform disolvate
Ho, Soo Yei; Tiekink, Edward R. T.; Acta Crystallographica Section E 65 (2009) m1466–m1467; doi:10.1107/S1600536809043864

data_2223802
_publ_section_title
;\m-1,1'-Bis(diphenylphosphino)ferrocene-\k^2^<i>P</i>:<i>P</i>'-bis{[(<i>Z</i>)-<i>O</i>-isopropyl
 <i>N</i>-(4-nitrophenyl)thiocarbamato-\k<i>S</i>]gold(I)} chloroform
 disolvate
;
_journal_coeditor_code           HB5168
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1466
_journal_page_last               m1467
_journal_paper_doi               10.1107/S1600536809043864
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Au2 Fe (C10 H11 N2 O3 S)2 (C17 H14 P)2], 2C H Cl3'
_chemical_formula_moiety         'C54 H50 Au2 Fe N4 O6 P2 S2, 2(C H Cl3) '
_chemical_formula_sum            'C56 H52 Au2 Cl6 Fe N4 O6 P2 S2'
_chemical_formula_weight         1665.56
_chemical_name_systematic
;
\m-1,1'-Bis(diphenylphosphino)ferrocene-\k^2^<i>P</i>:<i>P</i>'-
bis{[(<i>Z</i>)-<i>O</i>-isopropyl
<i>N</i>-(4-nitrophenyl)thiocarbamato-\k<i>S</i>]gold(I)} chloroform
disolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 117.2930(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.9661(13)
_cell_length_b                   11.5544(6)
_cell_length_c                   23.3615(13)
_cell_measurement_reflns_used    3297
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.2
_cell_measurement_theta_min      4.4
_cell_volume                     6228.7(6)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'PATTY in DIRDIF92 (Beurskens <i>et al.</i>,  1992)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.056
_diffrn_reflns_av_sigmaI/netI    0.067
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            21839
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.8
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.355
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.572
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3248
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.08
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.97
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         7148
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.97
_refine_ls_R_factor_all          0.076
_refine_ls_R_factor_gt           0.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0493P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.092
_refine_ls_wR_factor_ref         0.104
_reflns_number_gt                4988
_reflns_number_total             7148
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5168.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2223802
_cod_database_fobs_code          2223802