(1η^5^-Cyclopentadienyl)(μ-disulfur dinitrido)(triphenylphosphino-2κ<i>P</i>)cobalt(II)gold(I) perchlorate
Alexandra M. Z. Slawin; J. Derek Woollins; Acta Crystallographica Section E 62 (2006) m1658–m1659; doi:10.1107/S1600536806024056

data_2209491
_publ_section_title
;
 (1\h^5^-Cyclopentadienyl)(\m-disulfur
 dinitrido)(triphenylphosphino-2\k<i>P</i>)cobalt(II)gold(I)
 perchlorate
;
_journal_coeditor_code           EZ2007
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1658
_journal_page_last               m1659
_journal_paper_doi               10.1107/S1600536806024056
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Au Co (C5 H5) (N2 N2) (C18 H15 P)] Cl O4'
_chemical_formula_moiety         'C23 H20 Au Co N2 P S2 + ,  Cl O4 -'
_chemical_formula_sum            'C23 H20 Au Cl Co N2 O4 P S2'
_chemical_formula_weight         774.85
_chemical_name_systematic
;
(\h^5^-Cyclopentadienyl)(\m-disulfur
dinitrido)(triphenylphosphino)cobalt(II)gold(I) perchlorate
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.20(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.646(3)
_cell_length_b                   14.186(3)
_cell_length_c                   13.377(3)
_cell_measurement_reflns_used    15455
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2591.2(11)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection
;
SCXmini Benchtop Crystallography System Software (Rigaku, 2006)
;
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure (Rigaku/MSC, 2004)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku SCXmini'
_diffrn_measurement_method       \w
_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  0.048
_diffrn_reflns_av_sigmaI/netI    0.043
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            15021
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.4
_diffrn_reflns_theta_min         3.2
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.654
_exptl_absorpt_correction_T_max  0.274
_exptl_absorpt_correction_T_min  0.203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            red-violet
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.773
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.04
_refine_ls_R_factor_all          0.042
_refine_ls_R_factor_gt           0.030
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0176P)^2^+3.2524P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.051
_refine_ls_wR_factor_ref         0.054
_reflns_number_gt                3953
_reflns_number_total             4718
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ez2007.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2209491
_cod_database_fobs_code          2209491