An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines
Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto; Inorganic Chemistry 40 (2001) 218–223; doi:10.1021/ic000319k

data_4319139
_publ_section_title
;
 An Additional Structural and Electrical Study of Polymeric
 Haloplumbates(II) with Heterocyclic Diprotonated Amines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              218
_journal_page_last               223
_journal_paper_doi               10.1021/ic000319k
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C4 H12 Cl4 N2 Pb'
_chemical_formula_weight         437.16
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00(0)
_cell_angle_beta                 95.37(6)
_cell_angle_gamma                90.00(0)
_cell_formula_units_Z            4.00
_cell_length_a                   5.778(2)
_cell_length_b                   22.61(3)
_cell_length_c                   9.061(4)
_cell_measurement_radiation      X
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298
_cell_measurement_theta_max      25
_cell_measurement_theta_min      15
_cell_measurement_wavelength     0.71069
_cell_volume                     1178.5(17)
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         Mo
_diffrn_radiation_type           X
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    15.1716
_exptl_absorpt_correction_type   'Walker and Stuart'
_exptl_crystal_colour            colourles
_exptl_crystal_density_diffrn    2.4636
_exptl_crystal_description       prism
_exptl_crystal_F_000             800.0
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.22
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1586
_refine_ls_restrained_S_obs      1.083
_refine_ls_R_factor_gt           0.052
_refine_ls_shift/su_max          0.043
_refine_ls_wR_factor_ref         0.054
_reflns_number_total             3710
_cod_data_source_file            ic000319k_1.cif
_cod_data_source_block           (pipzH2)[PbCl4]
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-19

 Removing atoms 'Cl31' and 'Cl41' since they are symmetrical equivalents
 of atoms 'Cl3' and 'Cl4' respectively. All occurrences of these atoms in
 the _geom_angle and the _geom_bond loop were marked as being the 3_555
 symmetry equivalents of atoms their corresponding atoms.

 The following information was removed:
 # _atom_site loop:
 # Cl31 0.7170(7) 0.1640(3) 0.2723(5) 0.0427(17) Uani Cl . 1 . 0
 # Cl41 0.2178(13) 0.2556(4) 0.5140(8) 0.0840(32) Uani Cl . 1 . 0
 # _atom_site_aniso loop:
 # Cl31 0.0187(17) 0.0703(42) 0.0393(24) -0.0048(34) 0.0034(16) 0.0003(24)
 # Cl41 0.1229(62) 0.0670(57) 0.0673(46) 0.0471(46) 0.0361(44) 0.0395(47)

 Antanas Vaitkus,
 2017-02-17

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-02-15
;
_cod_original_cell_volume        1179.(2)
_cod_original_sg_symbol_H-M      ' P 21/c '
_cod_original_formula_sum        'Pb1 Cl4 N2 C4 H12 '
_cod_database_code               4319139