Crystal structure of bis{catena-poly[(μ2-1,2-bis(4-pyridyl)ethane-κ2 N:N′)silver(I)]} diaqua-bis(5-(4-carboxyphenyl)pyridine-2-carboxylato-κ2 N,O)-(μ2-1,2-bis(4-pyridyl)ethane-κ2 N:N′)disilver(I) octahydrate, C31H35Ag2N4O9
Fan, Hui-Tao; Ding, Jie; Xie, Jing-Peng; Wang, Kun; Zeitschrift für Kristallographie - New Crystal Structures 233 (2018) 585–587; doi:10.1515/ncrs-2017-0345

data_8106223
_publ_section_title
;
 Crystal structure of bis{catena-poly[(\m2-1,2-bis(4-pyridyl)ethane-\k2
 N:N&#x2032;)silver(I)]}
 diaqua-bis(5-(4-carboxyphenyl)pyridine-2-carboxylato-\k2
 N,O)-(\m2-1,2-bis(4-pyridyl)ethane-\k2 N:N&#x2032;)disilver(I)
 octahydrate, C31H35Ag2N4O9
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              585
_journal_page_last               587
_journal_paper_doi               10.1515/ncrs-2017-0345
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C31 H35 Ag2 N4 O9'
_chemical_formula_weight         823.37
_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                85.491(4)
_cell_angle_beta                 84.285(5)
_cell_angle_gamma                72.413(4)
_cell_formula_units_Z            2
_cell_length_a                   8.8351(5)
_cell_length_b                   13.1492(6)
_cell_length_c                   14.7094(8)
_cell_measurement_reflns_used    3575
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9070
_cell_measurement_theta_min      3.2920
_cell_volume                     1618.76(15)
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10674
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.984
_exptl_absorpt_coefficient_mu    1.269
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_description       block
_exptl_crystal_F_000             830
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         5698
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0382
_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^)+(0.0256P)^2^+1.8153P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0796
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4546
_reflns_number_total             5698
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2017-0345_suppl.cif
_cod_data_source_block           A
_cod_database_code               8106223
_shelx_estimated_absorpt_t_min   0.785
_shelx_estimated_absorpt_t_max   0.823
_shelx_res_checksum              6652
_shelx_hkl_checksum              77193