Crystallography Open Database

Information card for entry 2010366

2010365 << 2010366 >> 2010367

Preview

Coordinates	2010366.cif
Original IUCr paper	HTML

Structure parameters

Common name	Vanadyl bis(acetylacetonate)
Chemical name	Bis(2,4-pentanedionato)oxovanadium(IV)
Formula	C10 H14 O5 V
Calculated formula	C10 H14 O5 V
Title of publication	Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination
Authors of publication	Shuter, Edward; Rettig, Steven J.; Orvig, Chris
Journal of publication	Acta Crystallographica, Section C: Crystal Structure Communications
Year of publication	1995
Journal volume	51
Journal issue	1
Pages of publication	12 - 14
a	8.2116 ± 0.0007 Å
b	11.229 ± 0.001 Å
c	7.5178 ± 0.0009 Å
α	108.507 ± 0.008°
β	113.336 ± 0.007°
γ	73.187 ± 0.007°
Cell volume	592.9 ± 0.1 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.149
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.041
Weighted residual factors for significantly intense reflections	0.035
Goodness-of-fit parameter for significantly intense reflections	1.87
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	2003167
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209636 (current)	2018-08-12	cif/2/ Adding additional information in entries 2003167, 2010366 after consulting the original supplementary material. Marking entry 2010366 as a duplicate of entry 2003167.	2010366.cif
209635	2018-08-12	cif/2/ Updating bibliography in entries 2003167, 2010366.	2010366.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2010366.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' ) &	2010366.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2010366.cif
481	2008-11-20	Changing volume number in numerous Acta Cryst. C published CIFs from 'C[0-9]?[0-9]' into '[0-9]?[0-9]'. This makes the COD CIF collection more uniform, and also helps the deposition scripts to spot potential duplicates more accurately. The command for this transformation was: for i in 2/.cif; \ do ( \ if grep -q '_journal_volume C' $i && \ grep -q '_journal_name_full .Acta Cryst' $i; \ then \ echo === $i ===; \ perl -i -pe 's/_journal_volume C/_journal_volume /' $i; \ perl -i -pe \ "s/_journal_name_full ./_journal_name_full 'Acta Crystallographica Section C'/" $i ; \ fi \ ) done	2010366.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	2010366.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2010366.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	2010366.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	2010366.cif