Crystallography Open Database

Information card for entry 1007044

Preview

Coordinates	1007044.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hexasodium decavanadate 18-hydrate
Formula	H36 Na6 O46 V10
Calculated formula	H36 Na6 O46 V10
SMILES	[O]12345[V]678(O[V]9%101(=O)[O]1[V]%11%122(O6)[O]26%13%14[V]%15%16%17(O[V]%18%19%13([O]%13[V]32(O%15)(O[V]4(O8)(=O)(O9)O[V]5%13(O7)(=O)[O]%12%19)[O]%10[V]1%14(=O)(O%16)O[V]6(=O)(O%18)(O%11)O%17)=O)=O)=O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O.O.O
Title of publication	Structure d'un Decavanadate d'Hexasodium Hydrate
Authors of publication	Durif, A; Averbuch-Pouchot, M T; Guitel, J C
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1980
Journal volume	36
Pages of publication	680 - 682
a	11.65 ± 0.05 Å
b	10.85 ± 0.05 Å
c	8.56 ± 0.01 Å
α	101.23 ± 0.05°
β	99.44 ± 0.05°
γ	105.48 ± 0.05°
Cell volume	995.7 Å³
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	0.03
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1007044.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1007044.cif
91022	2013-11-26	cod/ (agne@lokys) Deleting dummy hydrogen sites from those COD entries where this operation lead to the correspondence of the calculated and declared summary chemical formulae.	1007044.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1007044.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.	1007044.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/'	1007044.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1007044.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.	1007044.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)	1007044.cif