Intercluster Compound between a Tetrakis{triphenylphosphinegold(I)}oxonium Cation and a Keggin Polyoxometalate (POM): Formation during the Course of Carboxylate Elimination of a Monomeric Triphenylphosphinegold(I) Carboxylate in the Presence of POMs
Kenji Nomiya; Takuya Yoshida; Yoshitaka Sakai; Arisa Nanba; Shinichiro Tsuruta; Inorganic Chemistry 49 (2010) 8247–8254; doi:10.1021/ic100530h

data_4316485
_publ_section_title
;
 Intercluster Compound between a
 Tetrakis{triphenylphosphinegold(I)}oxonium Cation and a Keggin
 Polyoxometalate (POM): Formation during the Course of Carboxylate
 Elimination of a Monomeric Triphenylphosphinegold(I) Carboxylate in the
 Presence of POMs
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8247
_journal_page_last               8254
_journal_paper_doi               10.1021/ic100530h
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C144 H124 Au8 O44 P8 Si W12'
_chemical_formula_weight         6616.21
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.659(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.6060(16)
_cell_length_b                   19.0414(16)
_cell_length_c                   32.434(2)
_cell_measurement_reflns_used    9829
_cell_measurement_temperature    90
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.27
_cell_volume                     16834(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            78656
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    15.253
_exptl_absorpt_correction_T_max  0.3406
_exptl_absorpt_correction_T_min  0.1940
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; Sheldrick 1996
;
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.610
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       granular
_exptl_crystal_F_000             11976
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         12.767
_refine_diff_density_min         -3.048
_refine_diff_density_rms         0.813
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     997
_refine_ls_number_reflns         20950
_refine_ls_number_restraints     2610
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0549
_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^)+(0.0558P)^2^+1095.1697P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1386
_refine_ls_wR_factor_ref         0.1476
_reflns_number_gt                17971
_reflns_number_total             20950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100530h_si_003.cif
_cod_data_source_block           ty10s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316485