A two-dimensional silver‒iodide organic network constructed from a unique [Ag~6~I~6~] hexagonal prism-based one-dimensional column motif
Yuan, Shuai; Liu, Shan-Shan; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di; Acta Crystallographica Section C 69 (2013) 216–218; doi:10.1107/S0108270113002916

data_2018832
_publ_section_title
;
 A two-dimensional silver--iodide organic network constructed from a
 unique [Ag~6~I~6~] hexagonal prism-based one-dimensional column motif
;
_journal_coeditor_code           SF3192
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              216
_journal_page_last               218
_journal_paper_doi               10.1107/S0108270113002916
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ag4 I4 (C11 H16 N4)]'
_chemical_formula_moiety         'C11 H16 Ag4 I4 N4'
_chemical_formula_sum            'C11 H16 Ag4 I4 N4'
_chemical_formula_weight         1143.36
_chemical_name_systematic
Poly[[\m~2~-1,3-bis(2-methylimidazol-1-yl)propane]di-\m~4~-iodido-di-\m~3~-iodido-silver(I)]
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.621(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.809(6)
_cell_length_b                   4.541(2)
_cell_length_c                   18.788(9)
_cell_measurement_reflns_used    1399
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.31
_cell_measurement_theta_min      3.46
_cell_volume                     1083.2(9)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker ,2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       '\w and \f'
_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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4420
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    9.265
_exptl_absorpt_correction_T_max  0.4577
_exptl_absorpt_correction_T_min  0.3371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.500
_refine_diff_density_min         -1.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     106
_refine_ls_number_reflns         1870
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0564
_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^)+(0.0789P)^2^+4.0792P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1265
_refine_ls_wR_factor_ref         0.1410
_reflns_number_gt                1350
_reflns_number_total             1870
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sf3192.cif
_cod_data_source_block           I
_cod_original_cell_volume        1083.1(9)
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               2018832
_cod_database_fobs_code          2018832