#------------------------------------------------------------------------------
#$Date: 2008-03-27 08:01:47 +0000 (Thu, 27 Mar 2008) $
#$Revision: 304 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003211.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
_journal_name_full     'Acta Crystallographica'
_journal_volume    	C51
_journal_year         	1995
_journal_page_first    	242
_journal_page_last    	244
_publ_section_title
;
Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride
;
loop_
_publ_author_name
'Marcus Geselle'
'Hartmut Fuess'
_chemical_formula_moiety    	'C12 H42 Cl14 N6 Pb1'
_chemical_formula_sum    	'C12 H42 Cl14 N6 Pb1'
_chemical_formula_structural
;
(Cl C2 H4 N H3 1+)6 (Pb Cl6 4-) (Cl 1-)2
;
_chemical_formula_analytical    	?
_chemical_formula_weight    	974.05
loop_
    _symmetry_equiv_pos_as_xyz
    +x,+y,+z
    -x,-y,-z
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	8.175(1)
_cell_length_b    	10.150(2)
_cell_length_c    	11.254(1)
_cell_angle_alpha    	83.28(1)
_cell_angle_beta    	81.07(1)
_cell_angle_gamma    	74.30(1)
_cell_volume    	885.3(2)
_cell_formula_units_Z    	1
_exptl_crystal_density_diffrn    	1.827
_exptl_crystal_density_meas    	?
_exptl_crystal_density_method    	?
_diffrn_radiation_type    	'Mo K\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	2.89
_cell_measurement_theta_max    	16.68
_exptl_absorpt_coefficient_mu    	5.88
_cell_measurement_temperature    	298
_exptl_crystal_description    	prism
_exptl_crystal_size_max    	0.175
_exptl_crystal_size_mid    	0.175
_exptl_crystal_size_min    	0.100
_exptl_crystal_colour    	colourless
_computing_data_collection
;
CAD4 Diffractometer Control Software (Enraf-Nonius, 1991)
;
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)
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_22
    _atom_site_aniso_U_23
    _atom_site_aniso_U_33
    Pb .0334(1) -.00830(9) -.00764(9) .0361(1) .00068(9) .0364(2)
    Cl1 .0479(7) -.0186(5) -.0098(5) .0531(7) .0012(5) .0480(6)
    Cl2 .0463(7) -.0092(5) -.0065(5) .0503(7) -.0047(5) .0555(7)
    Cl3 .0386(6) -.0025(5) -.0030(5) .0573(7) .0046(5) .0513(7)
    Cl4 .079(1) -.0074(6) -.0156(7) .0475(7) -.0063(6) .0525(7)
    Cl5 .0627(9) -.0246(9) -.0020(7) .102(1) .0079(9) .0652(9)
    Cl6 .081(1) -.043(1) -.029(1) .093(1) .034(1) .089(1)
    Cl7 .091(1) -.038(1) -.0029(8) .115(1) .0000(9) .0550(9)
    N1 .054(3) -.016(2) -.007(2) .060(3) .004(2) .040(2)
    C1 .063(4) -.026(3) -.017(3) .085(4) .012(3) .050(3)
    C2 .080(5) -.028(4) -.006(3) .119(6) -.005(3) .046(3)
    N2 .050(3) -.011(2) -.017(2) .061(3) .006(2) .061(3)
    C3 .053(3) -.028(3) -.011(3) .084(4) .008(3) .056(3)
    C4 .051(4) -.007(3) -.017(3) .102(5) .019(4) .085(5)
    N3 .054(3) -.009(2) .001(2) .073(3) -.010(2) .055(3)
    C5 .054(3) -.011(3) -.017(3) .073(4) .005(3) .055(3)
    C6 .088(5) -.004(4) .011(4) .063(4) -.006(3) .083(5)