The crystal structure of poly[(μ5-2,5-dicarboxy-benzoato-κ4 O:O:O′:O′′,O′′′)silver(I)], C9H5AgO6
Tong, Ling; Tian, Dong; Zeitschrift für Kristallographie - New Crystal Structures 234 (2019) 489–491; doi:10.1515/ncrs-2018-0489

data_8105757
_publ_section_title
;
 The crystal structure of poly[(\m5-2,5-dicarboxy-benzoato-\k4
 O:O:O&#x2032;:O&#x2032;&#x2032;,O&#x2032;&#x2032;&#x2032;)silver(I)],
 C9H5AgO6
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              489
_journal_page_last               491
_journal_paper_doi               10.1515/ncrs-2018-0489
_journal_volume                  234
_journal_year                    2019
_chemical_formula_sum            'C9 H5 Ag O6'
_chemical_formula_weight         317.00
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                79.109(2)
_cell_angle_beta                 89.864(2)
_cell_angle_gamma                78.122(2)
_cell_formula_units_Z            2
_cell_length_a                   3.7933(5)
_cell_length_b                   7.6762(11)
_cell_length_c                   15.534(2)
_cell_measurement_temperature    296(2)
_cell_volume                     434.35(10)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5417
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.327
_diffrn_reflns_theta_min         2.672
_exptl_absorpt_coefficient_mu    2.331
_exptl_crystal_density_diffrn    2.424
_exptl_crystal_F_000             308
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.833
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2128
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0302
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0259P)^2^+0.4274P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0650
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1800
_reflns_number_total             2128
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2018-0489_suppl.cif
_cod_data_source_block           a
_cod_database_code               8105757
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.721
_shelx_estimated_absorpt_t_max   0.800
_shelx_res_checksum              91691
_shelx_hkl_checksum              6841