<i>catena</i>-Poly[[silver(I)-μ~2~-1,1'-dimethyl-2,2'-biimidazole-κ<i>N</i>^3^:<i>N</i>^3'^] nitrate 1.167-hydrate methanol 0.33-solvate]
Letitia M. Gruia; Fernande D. Rochon; André L. Beauchamp; Acta Crystallographica Section E 61 (2005) m1604–m1606; doi:10.1107/S1600536805023044

data_2206533
_publ_section_title
;<i>catena</i>-Poly[[silver(I)-\m~2~-1,1'-dimethyl-2,2'-biimidazole-\k<i>N</i>^3^:<i>N</i>^3'^]
 nitrate 1.167-hydrate methanol 0.33-solvate]
;
_journal_coeditor_code           RZ6102
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1604
_journal_page_last               m1606
_journal_paper_doi               10.1107/S1600536805023044
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Ag (C8 H10 N4)] N O3, 1.167H2 O, 0.33C H4 O'
_chemical_formula_moiety
'C8 H10 Ag1 N4 +, N O3 -, 1.167H2 O, 0.33C H4 O'
_chemical_formula_sum            'C8.33 H13.33 Ag N3 O4.5'
_chemical_formula_weight         363.44
_chemical_name_systematic
;
catena-Poly[[silver(I)-\m~2~-1,1'-dimethyl-2,2'-biimidazole-\kN^3^:N^3'^]
nitrate 1.167-hydrate methanol 0.33-solvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 93.3420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   8.34970(10)
_cell_length_b                   23.0390(2)
_cell_length_c                   21.3683(2)
_cell_measurement_reflns_used    24951
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.88
_cell_measurement_theta_min      2.82
_cell_volume                     4103.60(7)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'UdMX (Maris, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART 2000'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            49852
_diffrn_reflns_theta_full        72.99
_diffrn_reflns_theta_max         72.99
_diffrn_reflns_theta_min         2.82
_diffrn_standards_decay_%        -0.47
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.05
_exptl_absorpt_correction_T_max  0.55
_exptl_absorpt_correction_T_min  0.25
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.578
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         8069
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0470
_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^)+(0.0883P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1447
_reflns_number_gt                5837
_reflns_number_total             8069
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz6102.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C8.33 H13.33 Ag1 N3 O4.5'
_cod_database_code               2206533
_cod_database_fobs_code          2206533