Crystallography Open Database

Information card for entry 8101991

8101990 << 8101991 >> 8101992

Preview

Coordinates	8101991.cif

Structure parameters

Chemical name	hexakis(μ~2~-acetato)-tris(acetonitrile-κN)-μ~3~-oxo-trialuminum(III) tetrachloroaluminate
Formula	C18 H27 Al4 Cl4 N3 O13
Calculated formula	C18 H27 Al4 Cl3.96 N3 O13
Title of publication	Crystal structure of hexakis(μ~2~-acetato)tris(acetonitrile- κN)-μ~3~-oxo-trialuminum(III) tetrachloroaluminate, [Al~3~(C~2~H~3~O~2~)~6~(C~2~H~3~N)~3~O][AlCl~4~]
Authors of publication	Lemoine, P.; Bekaert, A.; Brion, J. D.; Viossat, B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	3
Pages of publication	309 - 310
a	11.867 ± 0.005 Å
b	15.421 ± 0.005 Å
c	19.181 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	3510 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1157
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101991.cif
107950	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101991.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101991.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	8101991.cif
12730	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101991 via cif-deposit CGI script.	8101991.cif