#------------------------------------------------------------------------------
#$Date: 2012-02-03 19:16:24 +0200 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/03/2000307.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000307
loop_
_publ_author_name
'Self, M. F.'
'Pennington, W. T.'
'Robinson, G. H.'
_publ_section_title
;
 Structure of a second polymorph of
 [Al(CH~3~)]~2~[14]aneN~4~[Al(CH~3~)~3~]~2~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1309
_journal_page_last               1310
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C18 H44 Al4 N4'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.46(2)
_cell_angle_beta                 67.86(2)
_cell_angle_gamma                73.84(2)
_cell_formula_units_Z            1
_cell_length_a                   7.978(2)
_cell_length_b                   9.428(2)
_cell_length_c                   9.627(2)
_cell_volume                     635.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.188
_exptl_crystal_density_diffrn    1.11
_exptl_crystal_F_000             232
_[local]_cod_data_source_file    st0480.cif
_[local]_cod_data_source_block   st0480a
_[local]_cod_cif_authors_sg_H-M  P-1
_[local]_cod_chemical_formula_sum_orig 'Al4 C18 H44 N4'
_cod_original_cell_volume        635.4(2)
_cod_database_code               2000307
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al(1) -.01840(10) .11280(10) .07460(10) .0330(10)
Al(2) -.37500(10) .30050(10) .30770(10) .0450(10)
N(1) .0513(2) .0935(2) -.1377(2) .0340(10)
N(2) -.2773(2) .1913(2) .1263(2) .0360(10)
C(1) -.0546(3) .2144(2) -.2266(2) .0470(10)
C(2) -.2615(3) .2436(3) -.1513(2) .0490(10)
C(3) -.3313(3) .3000(2) -.0013(2) .0470(10)
C(4) -.3659(3) .0585(2) .1666(3) .0430(10)
C(5) -.2522(3) -.0798(2) .2302(2) .0440(10)
C(6) .1474(3) .1866(3) .1287(3) .0570(10)
C(7) -.2824(4) .1619(3) .4685(3) .0710(10)
C(8) -.2742(4) .4852(3) .2346(3) .0700(10)
C(9) -.6472(3) .3418(3) .3634(3) .0620(10)
H(1) .027(3) .184(2) -.322(3) .057(6)
H(2) -.013(3) .311(3) -.240(3) .066(7)
H(3) -.315(3) .315(3) -.216(3) .069(7)
H(4) -.308(3) .152(3) -.137(2) .050(6)
H(5) -.467(3) .329(2) .028(2) .046(5)
H(6) -.272(3) .385(2) -.020(2) .040(5)
H(7) -.379(3) .041(2) .072(2) .045(5)
H(8) -.482(3) .077(2) .237(2) .038(5)
H(9) -.289(3) -.166(3) .231(2) .049(6)
H(10) -.260(3) -.082(2) .337(3) .051(6)
H(11) .2601 .1899 .0444 .095(4)
H(12) .0813 .2771 .1696 .095(4)
H(13) .1806 .1070 .2042 .095(4)
H(11A) .2702 .1267 .1001 .095(4)
H(12A) .1651 .2846 .0745 .095(4)
H(13A) .1086 .2074 .2301 .095(4)
H(14) -.3317 .2108 .5560 .095(4)
H(15) -.1497 .1396 .4329 .095(4)
H(16) -.3369 .0750 .5071 .095(4)
H(14A) -.2227 .2188 .4984 .095(4)
H(15A) -.1965 .0756 .4295 .095(4)
H(16A) -.3831 .1294 .5532 .095(4)
H(17) -.3310 .5612 .1694 .095(4)
H(18) -.1441 .4594 .1809 .095(4)
H(19) -.2887 .5259 .3214 .095(4)
H(17A) -.1498 .4671 .2349 .095(4)
H(18A) -.3484 .5543 .3035 .095(4)
H(19A) -.2786 .5282 .1342 .95(4)
H(20) -.698(4) .256(4) .404(3) .099(10)
H(21) -.692(4) .383(3) .282(4) .099(10)
H(22) -.696(5) .398(4) .433(4) .110(11)