Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid.
Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 10071–10081; doi:10.1039/c1dt10830a

data_7016815
_publ_section_title
;
 Syntheses, structures and properties of silver-organic frameworks
 constructed with 1,2,3,4-benzenetetracarboxylic acid.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10071
_journal_page_last               10081
_journal_paper_doi               10.1039/c1dt10830a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C100 H108 Ag9 N17 O38'
_chemical_formula_weight         3126.86
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.200(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.6049(11)
_cell_length_b                   17.4423(12)
_cell_length_c                   22.5810(11)
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    296
_cell_measurement_theta_max      29.0714
_cell_measurement_theta_min      2.9141
_cell_volume                     5495.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            25785
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    1.661
_exptl_absorpt_correction_T_max  0.7770
_exptl_absorpt_correction_T_min  0.7324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2009)
_exptl_crystal_density_diffrn    1.890
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3108
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.386
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         9665
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0390
_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^)+(0.0542P)^2^+4.8794P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                7220
_reflns_number_total             9665
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10830a.txt
_cod_data_source_block           2
_cod_original_cell_volume        5495.1(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7016815