Series of Inorganic-Organic Hybrid Materials Constructed From Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and Physical Properties
Wei-Qiu Kan; Jin Yang; Ying-Ying Liu; Jian-Fang Ma; Inorganic Chemistry 51 (2012) 11266–11278; doi:10.1021/ic300134z

data_4330771
_publ_contact_author_address
;
Department of Chemistry
Northeast Normal University
Changchun 130024
P.R.China
;
_publ_contact_author_email       jianfangma@yahoo.com.cn
_publ_contact_author_fax         +86-431-85098620
_publ_contact_author_name        'Jian-Fang Ma'
_publ_contact_author_phone       +86-431-85098620
_publ_section_title
;
 Series of Inorganic-Organic Hybrid Materials Constructed From
 Octamolybdates and Metal-Organic Frameworks: Syntheses, Structures, and
 Physical Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11266
_journal_page_last               11278
_journal_paper_doi               10.1021/ic300134z
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C30 H24 Ag3 Mo8 N16 O26, (H3 O), 2.5(H2 O)'
_chemical_formula_sum            'C30 H32 Ag3 Mo8 N16 O29.5'
_chemical_formula_weight         2179.85
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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
_cell_angle_beta                 104.744(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.278(5)
_cell_length_b                   25.321(5)
_cell_length_c                   11.665(5)
_cell_measurement_reflns_used    5307
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1367
_cell_measurement_theta_min      2.9294
_cell_volume                     5507(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       '\w scan'
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11697
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    2.900
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.629
_exptl_crystal_description       block
_exptl_crystal_F_000             4148
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.099
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         5049
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0294
_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^)+(0.0275P)^2^+0.1364P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                4259
_reflns_number_total             5049
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic300134z_si_002_3.cif
_cod_data_source_block           compound-3
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'C30 H32 Ag3 Mo8 N16 O29.50'
_cod_database_code               4330771