Crystal structure of poly[aqua(5-dimethylamino)naphthalene-1-sulfonato-κ2 N:O)(μ2-4,4′-bipyridyl -κ2 N:N′)silver(I)], C44H44Ag2N6O8S2
Li, Xi-Xi; Jiang, Jin-Ke; Du, Jing-Jie; Guo, Wei; Jiang, Hui; Dong, Xian-Wu; Zeitschrift für Kristallographie - New Crystal Structures 235 (2020) 821–823; doi:10.1515/ncrs-2020-0028

data_8105298
_publ_section_title
;
 Crystal structure of
 poly[aqua(5-dimethylamino)naphthalene-1-sulfonato-\k2
 N:O)(\m2-4,4&#x2032;-bipyridyl -\k2 N:N&#x2032;)silver(I)],
 C44H44Ag2N6O8S2
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              821
_journal_page_last               823
_journal_paper_doi               10.1515/ncrs-2020-0028
_journal_volume                  235
_journal_year                    2020
_chemical_formula_moiety
'C22 H20 Ag N3 O3 S, C10 H8 Ag N2, C12 H12 N O3 S, 2(H2 O)'
_chemical_formula_sum            'C44 H44 Ag2 N6 O8 S2'
_chemical_formula_weight         1064.71
_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                80.903(4)
_cell_angle_beta                 89.801(4)
_cell_angle_gamma                83.911(4)
_cell_formula_units_Z            2
_cell_length_a                   11.3967(5)
_cell_length_b                   12.6953(6)
_cell_length_c                   14.9539(7)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4530
_cell_measurement_theta_min      5.0380
_cell_volume                     2124.14(17)
_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 0.879
_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  0.0366
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.879
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38875
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.879
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.777
_diffrn_reflns_theta_min         4.854
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.082
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74206
_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    1.665
_exptl_crystal_description       block
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.090
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         10654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0458P)^2^+1.9230P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0997
_refine_ls_wR_factor_ref         0.1130
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7535
_reflns_number_total             10654
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2020-0028_suppl.cif
_cod_data_source_block           shelx
_cod_database_code               8105298
_shelx_estimated_absorpt_t_min   0.821
_shelx_estimated_absorpt_t_max   0.890