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_4304833
_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            'C40 H44 Ag2 N8 O66 P2 W18'
_chemical_formula_weight         5279.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           67
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   19.9227(8)
_cell_length_b                   21.9105(8)
_cell_length_c                   22.6668(9)
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      0.90
_cell_volume                     9894.4(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      273(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     0.71073
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            30549
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         0.90
_exptl_absorpt_coefficient_mu    22.569
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            shield
_exptl_crystal_density_diffrn    3.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       yellow
_exptl_crystal_F_000             10428
_refine_diff_density_max         7.446
_refine_diff_density_min         -3.974
_refine_diff_density_rms         0.467
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         6476
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1219P)^2^+370.1095P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1778
_refine_ls_wR_factor_ref         0.1961
_reflns_number_gt                4670
_reflns_number_total             6476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702407y-file003_1.cif
_cod_data_source_block           1
_cod_database_code               4304833