The one-dimensional organic‒inorganic hybrid: <i>catena</i>-poly[bis[1-(3-ammoniopropyl)-1<i>H</i>-imidazolium] [[iodidoplumbate(II)]-tri-μ-iodido-plumbate(II)-tri-μ-iodido-[iodidoplumbate(II)]-di-μ-iodido]]
Trigui, A.; Boughzala, H.; Driss, A.; Abid, Y.; Acta Crystallographica Section E 67 (2011) m458–m459; doi:10.1107/S160053681100941X

data_2229884
_publ_section_title
;
 The one-dimensional organic--inorganic hybrid:
 <i>catena</i>-poly[bis[1-(3-ammoniopropyl)-1<i>H</i>-imidazolium]
 [[iodidoplumbate(II)]-tri-\m-iodido-plumbate(II)-tri-\m-iodido-[iodidoplumbate(II)]-di-\m-iodido]]
;
_journal_coeditor_code           YK2002
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m458
_journal_page_last               m459
_journal_paper_doi               10.1107/S160053681100941X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C6 H13 N3)2 [Pb3 I10]'
_chemical_formula_moiety         '2(C6 H13 N3), I10 Pb3'
_chemical_formula_sum            'C12 H26 I10 N6 Pb3'
_chemical_formula_weight         2144.99
_chemical_name_common
'bis[1-(3-ammoniopropyl)-1H-imidazolium] decaiodotriplumbate(II)'
_chemical_name_systematic
;
<i>catena</i>-poly[bis[1-(3-ammoniopropyl)-1<i>H</i>-imidazolium]
[[iodidoplumbate(II)]-tri-\m-iodido-plumbate(II)-tri-\m-iodido-
[iodidoplumbate(II)]-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           SHELXL97
_cell_angle_alpha                117.21(3)
_cell_angle_beta                 98.05(2)
_cell_angle_gamma                107.17(3)
_cell_formula_units_Z            1
_cell_length_a                   8.652(3)
_cell_length_b                   11.728(5)
_cell_length_c                   11.972(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      9
_cell_volume                     976.7(9)
_computing_cell_refinement       'CAD-4 EXPRESS (Duisenberg, 1992)'
_computing_data_collection       'CAD-4 EXPRESS (Duisenberg, 1992)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       'non-profiled \w/2\q'
_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  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4950
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        6
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    20.812
_exptl_absorpt_correction_T_max  0.6241
_exptl_absorpt_correction_T_min  0.1389
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flat
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.166
_refine_diff_density_min         -2.088
_refine_ls_extinction_coef       0.00169(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   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         3796
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0363
_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^)+(0.0630P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                2749
_reflns_number_total             3796
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            yk2002.cif
_cod_data_source_block           I
_cod_database_code               2229884
_cod_database_fobs_code          2229884