(Ferrocenylthiophosphonato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)gold(I) dichloromethane monosolvate
van der Walt, Hendriette; Muller, Alfred; Staples, Richard J.; Van Zyl, Werner E.; Acta Crystallographica Section E 66 (2010) m1364–m1365; doi:10.1107/S1600536810039255

data_2227360
_publ_section_title
;
 (Ferrocenylthiophosphonato-\k<i>S</i>)(triphenylphosphane-\k<i>P</i>)gold(I)
 dichloromethane monosolvate
;
_journal_coeditor_code           CV2770
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1364
_journal_page_last               m1365
_journal_paper_doi               10.1107/S1600536810039255
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Au Fe (C5 H5) (C5 H5 O2 P S) (C18 H15 P)], C H2 Cl2'
_chemical_formula_moiety         'C28 H25 Au Fe O2 P2 S, C H2 Cl2'
_chemical_formula_sum            'C29 H27 Au Cl2 Fe O2 P2 S'
_chemical_formula_weight         825.22
_chemical_name_systematic
;
(Ferrocenylthiophosphonato-\k<i>S</i>)(triphenylphosphane-\k<i>P</i>)gold(I)
dichloromethane monosolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 112.831(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.122(3)
_cell_length_b                   9.3157(18)
_cell_length_c                   22.581(3)
_cell_measurement_reflns_used    9574
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      2.18
_cell_volume                     2931.8(9)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker 2006)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Brendt, 2001)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1117
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            13808
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.882
_exptl_absorpt_correction_T_max  0.4529
_exptl_absorpt_correction_T_min  0.3858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            orange-brown
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.136
_refine_diff_density_min         -1.633
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         4924
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0950P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1526
_reflns_number_gt                4348
_reflns_number_total             4924
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2770.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2227360
_cod_database_fobs_code          2227360