Poly[bis(phenethylammonium) [dibromidoplumbate(II)]-di-μ-bromido]]
Shibuya, Kengo; Koshimizu, Masanori; Nishikido, Fumihiko; Saito, Haruo; Kishimoto, Shunji; Acta Crystallographica Section E 65 (2009) m1323–m1324; doi:10.1107/S160053680903712X

data_2224096
_publ_section_title
;
 Poly[bis(phenethylammonium) [dibromidoplumbate(II)]-di-\m-bromido]]
;
_journal_coeditor_code           ZQ2004
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1323
_journal_page_last               m1324
_journal_paper_doi               10.1107/S160053680903712X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '(C8 H12 N)2 [Pb Br4]'
_chemical_formula_moiety         '2C8 H12 N + , Br4 Pb 2-'
_chemical_formula_sum            'C16 H24 Br4 N2 Pb'
_chemical_formula_weight         771.20
_chemical_name_systematic
;
Poly[bis(phenethylammonium) [[dibromidoplumbate(II)]-di-\m-bromido]]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.5472(12)
_cell_angle_beta                 105.7245(10)
_cell_angle_gamma                89.9770(12)
_cell_formula_units_Z            4
_cell_length_a                   11.6150(4)
_cell_length_b                   11.6275(5)
_cell_length_c                   17.5751(6)
_cell_measurement_reflns_used    15239
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2250.62(15)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku Corporation, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku Americas & Rigaku Corporation, 2008)'
_computing_molecular_graphics    'CrystalMaker (Palmer, 2009)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>,  2003)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20072
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    14.633
_exptl_absorpt_correction_T_max  0.645
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
see: Higashi (1999)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1424.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.26
_refine_diff_density_min         -2.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     416
_refine_ls_number_reflns         10077
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max_lt       0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0442P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1059
_reflns_number_gt                7157
_reflns_number_total             10077
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zq2004.cif
_cod_data_source_block           I
_cod_database_code               2224096
_cod_database_fobs_code          2224096