<i>catena</i>-Poly[3,3'-diethyl-1,1'-(propane-1,3-diyl)di(1<i>H</i>-imidazol-3-ium) [silver(I)-di-μ-iodido-silver(I)-di-μ-iodido]]
Huo, Jian-Zhong; Zhao, Zhi-Xiang; Shi, Men-Chao; Li, Hui-Long; Liu, Qing-Xiang; Acta Crystallographica Section E 68 (2012) m787–; doi:10.1107/S1600536812020715

data_2235154
_publ_section_title
;
 <i>catena</i>-Poly[3,3'-diethyl-1,1'-(propane-1,3-diyl)di(1<i>H</i>-imidazol-3-ium)
 [silver(I)-di-\m-iodido-silver(I)-di-\m-iodido]]
;
_journal_coeditor_code           LR2057
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m787
_journal_paper_doi               10.1107/S1600536812020715
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C13 H22 N4) [Ag2 I4]'
_chemical_formula_moiety         'C13 H22 N4 2+, Ag2 I4 2-'
_chemical_formula_sum            'C13 H22 Ag2 I4 N4'
_chemical_formula_weight         957.69
_chemical_name_systematic
;
<i>catena</i>-Poly[3,3'-diethyl-1,1'-(propane-1,3-diyl)di(1<i>H</i>-
imidazol-3-ium) [silver(I)-di-\m-iodido-silver(I)-di-\m-iodido]]
;
_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                74.677(3)
_cell_angle_beta                 70.566(3)
_cell_angle_gamma                79.903(3)
_cell_formula_units_Z            2
_cell_length_a                   9.1202(18)
_cell_length_b                   11.543(2)
_cell_length_c                   12.158(2)
_cell_measurement_reflns_used    5325
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.28
_cell_volume                     1158.7(4)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5868
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    7.022
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.860
_refine_ls_extinction_coef       0.00298(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         4008
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0290
_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^)+(0.0283P)^2^+2.6676P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                3692
_reflns_number_total             4008
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            lr2057.cif
_cod_data_source_block           I
_cod_database_code               2235154
_cod_database_fobs_code          2235154