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_4305419
_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_sum            'C10 H6 Ag4 N4 O10 V2'
_chemical_formula_weight         875.55
_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                89.110(7)
_cell_angle_beta                 87.719(9)
_cell_angle_gamma                86.243(8)
_cell_formula_units_Z            2
_cell_length_a                   3.5800(14)
_cell_length_b                   11.839(4)
_cell_length_c                   19.321(7)
_cell_measurement_reflns_used    4678
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.85
_cell_volume                     816.4(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            5725
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         4.02
_exptl_absorpt_coefficient_mu    5.870
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.299
_refine_diff_density_min         -2.497
_refine_diff_density_rms         0.403
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         4525
_refine_ls_number_restraints     228
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0678
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0883P)^2^+28.2369P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1758
_refine_ls_wR_factor_ref         0.1777
_reflns_number_gt                4329
_reflns_number_total             4525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8004129_si_002_3.cif
_cod_data_source_block           III
_cod_database_code               4305419