Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-μ-iodo-diodoplumbate(II)]
Billing, David G.; Lemmerer, Andreas; Acta Crystallographica Section C 62 (2006) m269–m271; doi:10.1107/S0108270106013953

data_2015466
_publ_section_title
;
 Poly[bis[2-(1-cyclohexenyl)ethylammonium]
 di-\m-iodo-diodoplumbate(II)]
;
_journal_coeditor_code           TR3004
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m269
_journal_page_last               m271
_journal_paper_doi               10.1107/S0108270106013953
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '(C8 H16 N)2 [Pb I4]'
_chemical_formula_moiety         '2C8 H16 N +, I4 Pb1 2-'
_chemical_formula_sum            'C16 H32 I4 N2 Pb'
_chemical_formula_weight         967.23
_chemical_name_systematic
;
Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-\m-iodo-diodoplumbate(II)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                80.629(6)
_cell_angle_beta                 72.455(6)
_cell_angle_gamma                89.961(6)
_cell_formula_units_Z            4
_cell_length_a                   12.2053(11)
_cell_length_b                   12.3053(11)
_cell_length_c                   18.3182(17)
_cell_measurement_reflns_used    1009
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.278
_cell_measurement_theta_min      2.377
_cell_volume                     2584.8(4)
_computing_cell_refinement       SMART-NT
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg,
1999)
;
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0745
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            42465
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    11.307
_exptl_absorpt_correction_T_max  0.5704
_exptl_absorpt_correction_T_min  0.03
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(XPREP; Bruker, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.262
_refine_diff_density_min         -3.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         12456
_refine_ls_number_restraints     298
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0373P)^2^+9.0164P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                10208
_reflns_number_total             12456
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tr3004.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C16 H32 I4 N2 Pb1'
_cod_database_code               2015466
_cod_database_fobs_code          2015466