Crystallography Open Database

Information card for entry 4300771

Preview

Coordinates	4300771.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	00380
Formula	C12 H12 O8 V
Calculated formula	C12 H12 O8 V
Title of publication	Coordination Chemistry and Insulin-Enhancing Behavior of Vanadium Complexes with Maltol C6H6O3 Structural Isomers
Authors of publication	Saatchi, Katayoun; Thompson, Katherine H.; Patrick, Brian O.; Pink, Maren; Yuen, Violet G.; McNeill, John H.; Orvig, Chris
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2689 - 2697
a	12.376 ± 0.004 Å
b	13.879 ± 0.005 Å
c	8.011 ± 0.003 Å
α	90 ± 0.006°
β	96.513 ± 0.006°
γ	90 ± 0.006°
Cell volume	1367.1 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
210164 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4300251-4300252, 4300770-4300771. Marking entries 4300251-4300252 as duplicates of entries 4300770-4300771.	4300771.cif
179045	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/07.	4300771.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4300771.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300771.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' ) &	4300771.cif
1523	2010-09-25	cif/{1,4} Updating unambiguously identified Inorg. Chem. 2005 structures from the recent Web deposition. Corrdinates of the sructures are not changed, only the bibliograpy and crystallographic information has been updated.	4300771.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.	4300771.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4300771.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/'	4300771.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300771.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.	4300771.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)	4300771.cif