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_7016816
_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            'C180 H190 Ag16 N28 O67'
_chemical_formula_weight         5543.52
_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                 94.825(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   24.8903(7)
_cell_length_b                   17.4034(4)
_cell_length_c                   22.5431(3)
_cell_measurement_reflns_used    15616
_cell_measurement_temperature    296
_cell_measurement_theta_max      29.2754
_cell_measurement_theta_min      2.9276
_cell_volume                     9730.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            46277
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    1.666
_exptl_absorpt_correction_T_max  0.7764
_exptl_absorpt_correction_T_min  0.7316
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2009)
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5508
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.173
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1320
_refine_ls_number_reflns         17118
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0466P)^2^+1.8243P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1052
_reflns_number_gt                12212
_reflns_number_total             17118
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10830a.txt
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7016816