Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5 N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2 N:N′)tetrasilver(I)], C7H8Ag2N3O4S
Zhao, Han-Lin; Jiang, Jin-Ke; Chu, Yu-Tong; Li, Gang-Mei; Li, Xi-Xi; Jin, Xin; Zeitschrift für Kristallographie - New Crystal Structures 236 (2021) 341–342; doi:10.1515/ncrs-2020-0537

data_8104825
_publ_section_title
;
 Crystal structure of
 poly[diammine-bis(\m4-4-hydroxypyridine-3-sulfonato-\k5 N:O,
 O&#x2032;:O&#x2032;&#x2032;:O&#x2032;&#x2032;)(\m2-pyrazinyl-\k2
 N:N&#x2032;)tetrasilver(I)], C7H8Ag2N3O4S
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              341
_journal_page_last               342
_journal_paper_doi               10.1515/ncrs-2020-0537
_journal_volume                  236
_journal_year                    2021
_chemical_formula_moiety         'C7 H8 Ag2 N3 O4 S'
_chemical_formula_sum            'C7 H8 Ag2 N3 O4 S'
_chemical_formula_weight         445.96
_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
_cell_angle_alpha                112.877(4)
_cell_angle_beta                 90.054(4)
_cell_angle_gamma                102.568(4)
_cell_formula_units_Z            2
_cell_length_a                   7.3758(3)
_cell_length_b                   8.7361(4)
_cell_length_c                   9.2906(4)
_cell_measurement_reflns_used    4030
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4960
_cell_measurement_theta_min      5.0600
_cell_volume                     535.90(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa dual offset/far'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8872
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.713
_diffrn_reflns_theta_min         5.033
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.854
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.764
_exptl_crystal_description       block
_exptl_crystal_F_000             426
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2695
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0235
_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^)+(0.0275P)^2^+0.1797P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0600
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2260
_reflns_number_total             2695
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_j_ncrs-2020-0537_suppl.cif
_cod_data_source_block           shelx
_cod_database_code               8104825
_shelx_estimated_absorpt_t_min   0.634
_shelx_estimated_absorpt_t_max   0.861