Bis[<i>N</i>-(1-naphthyl)ethylenediammonium] hexabromidoplumbate(II)
Chen, Yao; Zheng, Ying-Ying; Wu, Gang; Wang, Mang; Chen, Hong-Zheng; Yang, Hui; Acta Crystallographica Section E 66 (2010) m417–; doi:10.1107/S1600536810008901

data_2225698
_publ_section_title
;
 Bis[<i>N</i>-(1-naphthyl)ethylenediammonium] hexabromidoplumbate(II)
;
_journal_coeditor_code           XU2718
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m417
_journal_paper_doi               10.1107/S1600536810008901
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '(C12 H16 N2)2 [Pb Br6]'
_chemical_formula_moiety         '2(C12 H16 N2 2+), Br6 Pb 4-'
_chemical_formula_sum            'C24 H32 Br6 N4 Pb'
_chemical_formula_weight         1063.19
_chemical_name_systematic
;
Bis[<i>N</i>-(1-naphthyl)ethylenediammonium] hexabromidoplumbate(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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.4601(13)
_cell_angle_beta                 79.4756(14)
_cell_angle_gamma                62.8592(10)
_cell_formula_units_Z            1
_cell_length_a                   8.1193(4)
_cell_length_b                   8.5598(4)
_cell_length_c                   12.4328(6)
_cell_measurement_reflns_used    6259
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     752.63(6)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.0(10)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rolling anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0921
_diffrn_reflns_av_sigmaI/netI    0.1302
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6484
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.589
_exptl_absorpt_correction_T_max  0.0660
_exptl_absorpt_correction_T_min  0.0076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.731
_refine_diff_density_min         -3.271
_refine_ls_extinction_coef       0.0104(12)
_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   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         2938
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0730P)^2^+3P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1634
_refine_ls_wR_factor_ref         0.1737
_reflns_number_gt                2444
_reflns_number_total             2938
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu2718.cif
_cod_data_source_block           I
_cod_database_code               2225698
_cod_database_fobs_code          2225698