Novel intercluster compound between a heptakis{triphenylphosphinegold(i)}dioxonium cation and an α-Keggin polyoxometalate anion.
Yoshida, Takuya; Nomiya, Kenji; Matsunaga, Satoshi; Dalton transactions (Cambridge, England : 2003) 41 (2012) 10085–10090; doi:10.1039/c2dt30456b

data_7019765
_publ_section_title
;
 Novel intercluster compound between a
 heptakis{triphenylphosphinegold(i)}dioxonium cation and an \a-Keggin
 polyoxometalate anion.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10085
_journal_page_last               10090
_journal_paper_doi               10.1039/c2dt30456b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C128 H111 Au7 O43 P8 W12'
_chemical_formula_weight         6169.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 99.623(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.2752(14)
_cell_length_b                   39.606(3)
_cell_length_c                   25.931(2)
_cell_measurement_reflns_used    8086
_cell_measurement_temperature    90
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.26
_cell_volume                     16480(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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_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         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0548
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            156542
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.95
_exptl_absorpt_coefficient_mu    14.683
_exptl_absorpt_correction_T_max  0.2022
_exptl_absorpt_correction_T_min  0.1485
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             11136
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_platon_squeeze_details
;
;
_refine_diff_density_max         7.472
_refine_diff_density_min         -7.807
_refine_diff_density_rms         0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1793
_refine_ls_number_reflns         37798
_refine_ls_number_restraints     5154
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0604P)^2^+200.5330P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1279
_reflns_number_gt                29318
_reflns_number_total             37798
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30456b.txt
_cod_data_source_block           ty009sp21n
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7019765