Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds
Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min; CrystEngComm 16 (2014) 7410–; doi:10.1039/C4CE00633J

data_7217597
_publ_section_title
;
 Syntheses, crystal structures and properties of inorganic--organic
 hybrids constructed from Keggin-type polyoxometalates and silver
 coordination compounds
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              7410
_journal_paper_doi               10.1039/C4CE00633J
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C32 H30 Ag5 N10 O43 P W12'
_chemical_formula_weight         4019.18
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                90.000(5)
_cell_angle_beta                 101.657(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   22.902(5)
_cell_length_b                   11.913(5)
_cell_length_c                   22.594(5)
_cell_measurement_reflns_used    14776
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.94
_cell_volume                     6037(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART Apex II CCD Detector'
_diffrn_measurement_method       \w
_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  0.0624
_diffrn_reflns_av_sigmaI/netI    0.0680
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14776
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    24.474
_exptl_absorpt_correction_T_max  0.0608
_exptl_absorpt_correction_T_min  0.0555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick (2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7096
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.26
_refine_diff_density_max         2.427
_refine_diff_density_min         -3.722
_refine_diff_density_rms         0.404
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         5313
_refine_ls_number_restraints     109
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0277P)^2^+625.6262P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1207
_reflns_number_gt                4139
_reflns_number_total             5313
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7216486
_cod_data_source_file            c4ce00633j2.cif
_cod_data_source_block           4
_cod_database_code               7217597