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_4304835
_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            'C25 H24 Ag0 K N5 O64 P2 W18'
_chemical_formula_weight         4828.8
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.04(3)
_cell_angle_beta                 83.03(3)
_cell_angle_gamma                67.66(3)
_cell_formula_units_Z            2
_cell_length_a                   13.394(3)
_cell_length_b                   14.177(3)
_cell_length_c                   26.955(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.03
_cell_volume                     4626(2)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0975
_diffrn_reflns_av_sigmaI/netI    0.1299
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            36356
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    22.717
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             4936
_refine_diff_density_max         3.956
_refine_diff_density_min         -2.782
_refine_diff_density_rms         0.485
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1016
_refine_ls_number_reflns         16164
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1808
_refine_ls_wR_factor_ref         0.2017
_reflns_number_gt                10255
_reflns_number_total             16164
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702407y-file003_3.cif
_cod_data_source_block           3
_cod_original_cell_volume        4626.4(16)
_cod_original_formula_sum        'C25 H24 Ag0 K1 N5 O64 P2 W18'
_cod_database_code               4304835