<i>catena</i>-Poly[[[aquasilver(I)]-μ-1,1'-(butane-1,4-diyl)di-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^] hemi(biphenyl-4,4'-dicarboxylate) dihydrate]
Zhang, Zheyu; Acta Crystallographica Section E 65 (2009) m1519–m1520; doi:10.1107/S1600536809045826

data_2224140
_publ_section_title
;<i>catena</i>-Poly[[[aquasilver(I)]-\m-1,1'-(butane-1,4-diyl)di-1<i>H</i>-imidazole-\k^2^<i>N</i>^3^:<i>N</i>^3'^]
 hemi(biphenyl-4,4'-dicarboxylate) dihydrate]
;
_journal_coeditor_code           CI2938
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1519
_journal_page_last               m1520
_journal_paper_doi               10.1107/S1600536809045826
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Ag (C10 H14 N4) (H2 O)] (C14 H8 O4)0.5, 2H2 O'
_chemical_formula_moiety
'C10 H16 Ag1 N4 H2 O +, 0.5(C14 H8 O4 2-), 2(H2 O)'
_chemical_formula_sum            'C17 H24 Ag N4 O5'
_chemical_formula_weight         472.27
_chemical_name_systematic
;
<i>catena</i>-Poly[[[aquasilver(I)]-\m-1,1'-(butane-1,4-diyl)di-1<i>H</i>-
imidazole-\k^2^<i>N</i>^3^:<i>N</i>^3'^] hemi(biphenyl-4,4'-dicarboxylate)
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                80.1900(10)
_cell_angle_beta                 68.8980(10)
_cell_angle_gamma                74.7750(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7685(6)
_cell_length_b                   10.0659(6)
_cell_length_c                   10.9224(7)
_cell_measurement_reflns_used    3658
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.7
_cell_measurement_theta_min      2.0
_cell_volume                     963.36(10)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX 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  0.0110
_diffrn_reflns_av_sigmaI/netI    0.0186
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5289
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.66
_diffrn_reflns_theta_min         2.01
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.082
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             482
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.415
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         3569
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+0.5838P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0575
_refine_ls_wR_factor_ref         0.0583
_reflns_number_gt                3422
_reflns_number_total             3569
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2938.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               2224140
_cod_database_fobs_code          2224140