Crystal structure of ([3,3′-bipyridine]-6,6′-dicarboxylato-κ2 O:O′)-bis(1,2-bis(4-pyridyl)ethane-κ2 N:N′)disilver(I) dihydrate, C37H35Ag2N5O6
Fan, Hui-Tao; Zhong, Zhi-Guo; Yang, Yu-Han; Zhao, Ling; Zeitschrift für Kristallographie - New Crystal Structures 232 (2017) 587–589; doi:10.1515/ncrs-2016-0355

data_8106611
_publ_section_title
;
 Crystal structure of
 ([3,3&#x2032;-bipyridine]-6,6&#x2032;-dicarboxylato-\k2
 O:O&#x2032;)-bis(1,2-bis(4-pyridyl)ethane-\k2 N:N&#x2032;)disilver(I)
 dihydrate, C37H35Ag2N5O6
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              587
_journal_page_last               589
_journal_paper_doi               10.1515/ncrs-2016-0355
_journal_volume                  232
_journal_year                    2017
_chemical_formula_sum            'C37 H35 Ag2 N5 O6'
_chemical_formula_weight         861.44
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 130.346(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.806(2)
_cell_length_b                   9.3041(3)
_cell_length_c                   18.0702(17)
_cell_measurement_reflns_used    1706
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.3540
_cell_measurement_theta_min      3.2640
_cell_volume                     3306.7(8)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'Diamond 3.1'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0663
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5989
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         7382
_exptl_absorpt_coefficient_mu    1.241
_exptl_absorpt_correction_T_max  0.8261
_exptl_absorpt_correction_T_min  0.7894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.042
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2917
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0744
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+6.9733P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                2160
_reflns_number_total             2917
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2016-0355_suppl.cif
_cod_data_source_block           a
_cod_original_cell_volume        3306.7(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8106611