Crystallography Open Database

Information card for entry 4100291

Preview

Coordinates	4100291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 O19 V6
Calculated formula	C12 H36 O19 V6
SMILES	[V]1234(=O)[OH]([V]567(=O)[OH]([V]89(=O)([OH]1C)[OH]([V]1%10(=O)([OH]2C)[OH]([V]2(=O)([OH]3C)([OH]5C)[OH]([V](=O)([OH]6C)([OH]8C)([OH]1C)[O]479%102)C)C)C)C)C
Title of publication	Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core
Authors of publication	Daniel, Charles; Hartl, Hans
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Journal issue	40
Pages of publication	13978 - 13987
a	20.8343 ± 0.0012 Å
b	10.083 ± 0.0006 Å
c	13.5064 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2837.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219223 (current)	2019-10-09	cif/4/10/02/ Updated bibliographic information in entries 4100287-4100292.	4100291.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4100291.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4100291.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100291.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.	4100291.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/'	4100291.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100291.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.	4100291.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)	4100291.cif