[μ-1,1'-Bis(diphenylphosphino)ferrocene-κ^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]‒chloroform‒hexane (2/2/1)
Meyer, Nadine; Mohr, Fabian; Tiekink, Edward R. T.; Acta Crystallographica Section E 66 (2010) m168–m169; doi:10.1107/S1600536810001418

data_2225000
_publ_section_title
;[\m-1,1'-Bis(diphenylphosphino)ferrocene-\k^2^<i>P</i>:<i>P</i>']bis[chloridogold(I)]--chloroform--hexane
 (2/2/1)
;
_journal_coeditor_code           HG2624
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m168
_journal_page_last               m169
_journal_paper_doi               10.1107/S1600536810001418
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Au2 Fe (C17 H14 P)2 Cl2], C H Cl3, 0.5C6 H14'
_chemical_formula_moiety         'C34 H28 Au2 Cl2 Fe P2, C H Cl3, 0.5(C6 H14)'
_chemical_formula_sum            'C38 H36 Au2 Cl5 Fe P2'
_chemical_formula_weight         1181.64
_chemical_name_systematic
;
[\m-1,1'-Bis(diphenylphosphino)ferrocene-
\k^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)]--chloroform--hexane (2/2/1)
;
_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                103.586(7)
_cell_angle_beta                 110.803(9)
_cell_angle_gamma                92.802(10)
_cell_formula_units_Z            2
_cell_length_a                   11.631(5)
_cell_length_b                   12.763(5)
_cell_length_c                   14.530(7)
_cell_measurement_reflns_used    7032
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      30.1
_cell_measurement_theta_min      2.0
_cell_volume                     1939.0(15)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku AFC12\K/SATURN724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_av_sigmaI/netI    0.042
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19988
_diffrn_reflns_theta_full        26.5
_diffrn_reflns_theta_max         26.5
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.371
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.222
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1126
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.53
_refine_diff_density_min         -2.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8010
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.08
_refine_ls_R_factor_all          0.041
_refine_ls_R_factor_gt           0.039
_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^)+(0.0508P)^2^+6.3295P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.097
_refine_ls_wR_factor_ref         0.099
_reflns_number_gt                7541
_reflns_number_total             8010
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2624.cif
_cod_data_source_block           I
_cod_database_code               2225000
_cod_database_fobs_code          2225000