Construction of Polyoxometalate-Based Inorganic-Organic Compounds Using Silver(I) Double Helicates as Secondary Building Blocks
Dongbin Dang; Guangshui Zheng; Yan Bai; Fan Yang; Hui Gao; Pengtao Ma; Jingyang Niu; Inorganic Chemistry 50 (2011) 7907–7909; doi:10.1021/ic200159w

data_4325996
_publ_section_title
;
 Construction of Polyoxometalate-Based Inorganic-Organic Compounds Using
 Silver(I) Double Helicates as Secondary Building Blocks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7907
_journal_page_last               7909
_journal_paper_doi               10.1021/ic200159w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C56 H63 Ag4 Mo12 N16 O44 P'
_chemical_formula_weight         3277.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_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                112.079(7)
_cell_angle_beta                 105.530(8)
_cell_angle_gamma                104.096(5)
_cell_formula_units_Z            1
_cell_length_a                   11.3822(9)
_cell_length_b                   15.4636(12)
_cell_length_c                   15.8905(19)
_cell_measurement_reflns_used    3651
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     2304.1(5)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0813
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20876
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    2.512
_exptl_absorpt_correction_T_max  0.7044
_exptl_absorpt_correction_T_min  0.6080
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.357
_exptl_crystal_F_000             1563
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.833
_refine_diff_density_min         -1.979
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     633
_refine_ls_number_reflns         8072
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0604
_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^)+(0.0850P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1471
_refine_ls_wR_factor_ref         0.1646
_reflns_number_gt                5090
_reflns_number_total             8072
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200159w_si_001_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2304.1(4)
_cod_database_code               4325996