(μ-3,5,9,11-Tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido-κ^2^<i>N</i>:<i>N</i>')bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')silver(I)] dihydrate
Zhang, Yongmei; Acta Crystallographica Section E 68 (2012) m1275–; doi:10.1107/S1600536812038640

data_2236351
_publ_section_title
;
 (\m-3,5,9,11-Tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido-\k^2^<i>N</i>:<i>N</i>')bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')silver(I)]
 dihydrate
;
_journal_coeditor_code           HY2587
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1275
_journal_paper_doi               10.1107/S1600536812038640
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag2 (C12 H8 N2 O4) (C10 H8 N2)2], 2H2 O'
_chemical_formula_moiety         'C32 H24 Ag2 N6 O4, 2(H2 O)'
_chemical_formula_sum            'C32 H28 Ag2 N6 O6'
_chemical_formula_weight         808.34
_chemical_name_systematic
;
(\m-3,5,9,11-Tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-
13-ene-4,10-diido-\k^2^<i>N</i>:<i>N</i>')bis[(2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')silver(I)] dihydrate
;
_space_group_IT_number           15
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.3760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.2720(12)
_cell_length_b                   7.1013(4)
_cell_length_c                   19.6329(11)
_cell_measurement_reflns_used    2928
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.10
_cell_measurement_theta_min      1.00
_cell_volume                     2946.8(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7869
_diffrn_reflns_theta_full        26.10
_diffrn_reflns_theta_max         26.10
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.387
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.324
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         2923
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0222P)^2^+3.2161P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                2588
_reflns_number_total             2923
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2587.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2236351
_cod_database_fobs_code          2236351