#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/32/2003211.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2003211
loop_
_publ_author_name
'Marcus Geselle'
'Hartmut Fuess'
_publ_section_title
;
Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride
;
_journal_coeditor_code           MU1117
_journal_issue                   2
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              242
_journal_page_last               244
_journal_paper_doi               10.1107/S0108270194009583
_journal_volume                  51
_journal_year                    1995
_chemical_formula_analytical     ?
_chemical_formula_moiety         'C12 H42 Cl14 N6 Pb1'
_chemical_formula_structural
;
(Cl C2 H4 N H3 1+)6 (Pb Cl6 4-) (Cl 1-)2
;
_chemical_formula_sum            'C12 H42 Cl14 N6 Pb'
_chemical_formula_weight         974.05
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.28(1)
_cell_angle_beta                 81.07(1)
_cell_angle_gamma                74.30(1)
_cell_formula_units_Z            1
_cell_length_a                   8.175(1)
_cell_length_b                   10.150(2)
_cell_length_c                   11.254(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      16.68
_cell_measurement_theta_min      2.89
_cell_volume                     885.3(2)
_computing_data_collection
;
CAD4 Diffractometer Control Software (Enraf-Nonius, 1991)
;
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.88
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.175
_exptl_crystal_size_min          0.100
_cod_original_formula_sum        'C12 H42 Cl14 N6 Pb1'
_cod_database_code               2003211
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb .50000 1.0 .50000 .0354(2)
Cl1 .6525(2) 1.2215(1) .4190(1) .0486(9)
Cl2 .5536(2) .9145(1) .2567(1) .0513(9)
Cl3 .8307(2) .8287(1) .5547(1) .0521(9)
Cl4 .3372(2) .5454(1) .3147(1) .060(1)
Cl5 .7122(2) .3087(2) .0313(2) .078(1)
Cl6 1.1372(3) 1.0715(2) .0972(2) .085(2)
Cl7 .8964(3) .5916(2) .1451(2) .086(2)
N1 .4136(6) .2482(5) .2104(4) .051(3)
H1 .492(5) .293(3) .245(2) .10(2)
H2 .474(6) .147(2) .199(1) .10(2)
H3 .302(1) .255(5) .268(2) .10(2)
C1 .3729(7) .3200(6) .0926(5) .065(5)
H4 .348(1) .432(1) .0980(8) .14(3)
H5 .258(1) .297(1) .0699(7) .14(3)
C2 .5221(9) .2731(7) -.0050(5) .081(7)
H6 .545(1) .162(1) -.011(1) .27(6)
H7 .491(1) .328(1) -.0919(9) .27(6)
N2 1.1654(6) .8625(5) .3326(5) .058(4)
H8 1.255(6) .914(8) .292(4) .18(3)
H9 1.225(8) .760(1) .349(7) .18(3)
H10 1.108(2) .903(8) .413(3) .18(3)
C3 1.0331(7) .8772(6) .2508(5) .063(5)
H11 1.089(1) .815(1) .174(1) .10(2)
H12 .924(1) .842(1) .301(1) .10(2)
C4 .9727(6) 1.0228(7) .2057(6) .083(6)
H13 .857(1) 1.036(1) .163(1) .10(2)
H14 .943(1) 1.088(1) .282(1) .10(2)
N3 .6704(7) .5943(6) .4004(4) .063(4)
H15 .595(2) .556(5) .355(5) .14(2)
H16 .665(2) .694(2) .369(6) .14(2)
H17 .627(3) .590(6) .491(1) .14(2)
C5 .8477(7) .5114(6) .3810(5) .061(5)
H18 .935(1) .575(1) .3876(9) .10(2)
H19 .867(1) .425(1) .4499(9) .10(2)
C6 .8850(9) .4572(5) .2556(7) .083(6)
H20 1.007(2) .379(1) .2484(9) .20(4)
H21 .782(2) .412(1) .2422(9) .20(4)
