Synthesis and Structures of a New Series of Silver-Vanadate Hybrid Solids and Their Optical and Photocatalytic Properties
Haisheng Lin; Paul A. Maggard; Inorganic Chemistry 47 (2008) 8044–8052; doi:10.1021/ic8004129

data_4305417
_publ_section_title
;
Synthesis and Structures of a New Series of Silver-Vanadate Hybrid Solids
and Their Optical and Photocatalytic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8044
_journal_page_last               8052
_journal_paper_doi               10.1021/ic8004129
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         '2(C10 H8 Ag N2), O6 V2, H2 O '
_chemical_formula_sum            'C20 H18 Ag2 N4 O7 V2'
_chemical_formula_weight         744.00
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 91.462(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.375(2)
_cell_length_b                   14.281(4)
_cell_length_c                   13.598(3)
_cell_measurement_reflns_used    8090
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.97
_cell_measurement_theta_min      2.85
_cell_volume                     2208.2(9)
_computing_cell_refinement       Apex2
_computing_data_collection       Apex2
_computing_data_reduction        SAINT+
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device       'Bruker-Nonius X8 Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_theta_full        27.03
_diffrn_reflns_theta_max         27.03
_diffrn_reflns_theta_min         1.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.62
_exptl_absorpt_correction_T_max  0.9500
_exptl_absorpt_correction_T_min  0.7530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.238
_exptl_crystal_description       bar
_exptl_crystal_F_000             1444.04
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.47
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4001
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.054
_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+0.0004F^2^) '
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.044
_refine_ls_wR_factor_ref         0.043
_reflns_number_gt                4019
_reflns_number_total             4828
_reflns_threshold_expression     'Inet > 1.0\s(Inet)'
_cod_data_source_file            ic8004129_si_002_1.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-19
;
_cod_original_cell_volume        2208.1(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C20 H18 Ag2 N4 O7 V2 '
_cod_database_code               4305417