Crystallography Open Database

Information card for entry 7001677

Preview

Coordinates	7001677.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Alox
Formula	C40.5 H50 Al N O4
Calculated formula	C40.5 H50 Al N O4
Title of publication	Synthesis and structure of aluminium amine-phenolate complexes
Authors of publication	Johnson, Andrew L.; Davidson, Matthew G.; Pérez, Yolanda; Jones, Matthew D.; Merle, Nicolas; Raithby, Paul R.; Richards, Stephen P.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	28
Pages of publication	5551 - 5558
a	13.555 ± 0.0003 Å
b	16.037 ± 0.0005 Å
c	17.718 ± 0.0005 Å
α	76.594 ± 0.001°
β	73.352 ± 0.001°
γ	81.093 ± 0.002°
Cell volume	3573.38 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
209595 (current)	2018-08-12	cif/7/ Updating bibliography in entries 7001674-7001678, 7030675-7030679 Marking entries 7030675-7030679 as duplicates of entries 7001674-7001678.	7001677.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7001677.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	7001677.cif
120435	2014-07-15	cif/ (saulius@koala.ibt.lt) Restoring full bibliographies for the 310 COD entries with recently added DOIs (DOIs were generated automatically from the source file names). Mnay (most? all?) of these entries will probably be duplicates of later added ones, so this needs to be checked extra.	7001677.cif
120433	2014-07-15	cif/ (saulius@koala.ibt.lt) Correcting bibliographies and inserting DOIs for 310 COD entries that had bibliographies wrong, apparently because of the bug in the COD depositions system of the time when they were deposited (the bug is fixed since then; the buggy deposition system would take bibliographies from the previous deposited entry if the bibliography for a new entry wa missing). The DOIs for these entries were restored by synthesising them from the source file names.	7001677.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001677.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7001677.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001677.cif