pH-Dependent Assembly of Hybrids Based on Wells-Dawson POM/Ag Chemistry
Jingquan Sha; Jun Peng; Yaqan Lan; Zhongmin Su; Haijun Pang; Aixiang Tian; Pengpeng Zhang; Min Zhu; Inorganic Chemistry 47 (2008) 5145–5153; doi:10.1021/ic702407y

data_4304834
_publ_section_title
;
pH-Dependent Assembly of Hybrids Based on Wells-Dawson POM/Ag Chemistry
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5145
_journal_page_last               5153
_journal_paper_doi               10.1021/ic702407y
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C60 H50 Ag4 N12 O62 P2 W18'
_chemical_formula_weight         5733.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            8
_cell_length_a                   49.793(5)
_cell_length_b                   17.495(5)
_cell_length_c                   22.705(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.31
_cell_measurement_theta_min      0.82
_cell_volume                     19779(7)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART-CCD'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1361
_diffrn_reflns_av_sigmaI/netI    0.0843
_diffrn_reflns_limit_h_max       61
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            105558
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_reflns_theta_min         0.82
_exptl_absorpt_coefficient_mu    5.481
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            polyhedron
_exptl_crystal_density_diffrn    3.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       yellow
_exptl_crystal_F_000             8084
_refine_diff_density_max         13.186
_refine_diff_density_min         -13.219
_refine_diff_density_rms         0.661
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1213
_refine_ls_number_reflns         20012
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0804P)^2^+2524.9619P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1788
_refine_ls_wR_factor_ref         0.1922
_reflns_number_gt                16138
_reflns_number_total             20012
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702407y-file003_2.cif
_cod_data_source_block           2
_cod_database_code               4304834