A one-dimensional organic‒inorganic hybrid compound [(CH~3~)~2~C=NHCH~2~CH~2~CH~3~][PbI~3~]
Elleuch, S.; Boughzala, H.; Driss, A.; Abid, Y.; Acta Crystallographica Section E 63 (2007) m306–m308; doi:10.1107/S160053680605392X

data_2212136
_publ_section_title
;
 A one-dimensional organic--inorganic hybrid compound
 [(CH~3~)~2~C=NHCH~2~CH~2~CH~3~][PbI~3~]
;
_journal_coeditor_code           DN2098
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m306
_journal_page_last               m308
_journal_paper_doi               10.1107/S160053680605392X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C6 H14 N1) [Pb I3]'
_chemical_formula_moiety         'C6 H14 N +, I3 Pb -'
_chemical_formula_sum            'C6 H14 I3 N Pb'
_chemical_formula_weight         688.07
_chemical_name_systematic
;
N-isopropylidenepropanaminium triiodoplumbate
;
_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; WINGX 1.70.01 L. J. Farrugia'
_cell_angle_alpha                90.0
_cell_angle_beta                 107.66(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.533(4)
_cell_length_b                   16.291(5)
_cell_length_c                   8.251(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      11
_cell_volume                     1477.2(9)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection
'CAD-4 EXPRESS (Duisenberg, 1992; Mac\'i\<cek & Yordanov, 1992)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics
'PLATON (Spek, 2003) and DIAMOND (Brandenburg, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \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  0.0807
_diffrn_reflns_av_sigmaI/netI    0.0933
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5585
_diffrn_reflns_theta_full        26.96
_diffrn_reflns_theta_max         26.96
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    17.652
_exptl_absorpt_correction_T_max  0.126
_exptl_absorpt_correction_T_min  0.0451
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.094
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelipiped
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.917
_refine_diff_density_min         -2.370
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     103
_refine_ls_number_reflns         3207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0976
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0773P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1339
_refine_ls_wR_factor_ref         0.1521
_reflns_number_gt                2058
_reflns_number_total             3207
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2098.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212136