Bis[μ-1,4-bis(4,5-dihydro-1<i>H</i>-imidazol-2-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]silver(I) dinitrate dihydrate
Hua Sun; Chun-Xia Ren; Bin Shen; Zhi-Qiang Liu; Yu-Qiang Ding; Acta Crystallographica Section E 64 (2008) m427–m428; doi:10.1107/S1600536808001633

data_2217486
_publ_section_title
;Bis[\m-1,4-bis(4,5-dihydro-1<i>H</i>-imidazol-2-yl)benzene-\k^2^<i>N</i>^3^:<i>N</i>^3'^]silver(I)
 dinitrate dihydrate
;
_journal_coeditor_code           DN2312
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m427
_journal_page_last               m428
_journal_paper_doi               10.1107/S1600536808001633
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ag2 (C12 H14 N4)2] (N O3)2, 2H2 O'
_chemical_formula_moiety         'C24 H28 Ag2 N8 2+, 2(N O3 -), 2(H2 O)'
_chemical_formula_sum            'C24 H32 Ag2 N10 O8'
_chemical_formula_weight         804.34
_chemical_name_systematic
;
Bis[\m-1,4-bis(4,5-dihydro-1<i>H</i>-imidazol-2-yl)benzene-
\k^2^N^3^:N^3'^]silver(I) dinitrate dihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.496(3)
_cell_angle_beta                 95.354(3)
_cell_angle_gamma                101.613(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3562(19)
_cell_length_b                   11.053(2)
_cell_length_c                   13.282(2)
_cell_measurement_reflns_used    2137
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      23.94
_cell_measurement_theta_min      2.46
_cell_volume                     1465.3(4)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996),  ORTEP-3 for Windows (Farrugia,
1997) and
PLATON (Spek, 2003)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0416
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7650
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    1.402
_exptl_absorpt_correction_T_max  0.7668
_exptl_absorpt_correction_T_min  0.6784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.173
_refine_diff_density_min         -0.821
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5316
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1055P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1373
_refine_ls_wR_factor_ref         0.1435
_reflns_number_gt                3797
_reflns_number_total             5316
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2312.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2217486
_cod_database_fobs_code          2217486