[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-methylphenyl)thiocarbamato-κ<i>S</i>]gold(I)}
Tadbuppa, Primjira P.; Tiekink, Edward R. T.; Acta Crystallographica Section E 65 (2009) m1597–; doi:10.1107/S1600536809047898

data_2224255
_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-methylphenyl)thiocarbamato-\k<i>S</i>]gold(I)}'
_journal_coeditor_code           HB5221
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1597
_journal_paper_doi               10.1107/S1600536809047898
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Au2 Fe (C11 H14 N O S)2 (C17 H14 P)2]'
_chemical_formula_moiety         'C56 H56 Au2 Fe N2 O2 P2 S2'
_chemical_formula_sum            'C56 H56 Au2 Fe N2 O2 P2 S2'
_chemical_formula_weight         1364.87
_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-methylphenyl)thiocarbamato-\k<i>S</i>]gold(I)}
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                107.440(2)
_cell_angle_beta                 97.401(2)
_cell_angle_gamma                106.366(2)
_cell_formula_units_Z            1
_cell_length_a                   8.1631(9)
_cell_length_b                   13.4959(14)
_cell_length_c                   13.5154(14)
_cell_measurement_reflns_used    2346
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.7
_cell_volume                     1325.5(2)
_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  'publCIF (Westrip, 2009)'
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0668
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7710
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         1.6
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.972
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.74
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.98
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         4651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.98
_refine_ls_R_factor_all          0.054
_refine_ls_R_factor_gt           0.040
_refine_ls_shift/su_max_lt       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^)+(0.0429P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.083
_refine_ls_wR_factor_ref         0.088
_reflns_number_gt                3790
_reflns_number_total             4651
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5221.cif
_cod_data_source_block           I
_cod_database_code               2224255
_cod_database_fobs_code          2224255