Crystallography Open Database

Information card for entry 4311860

Preview

Coordinates	4311860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H19 Cs3 N2 O18 V2
Calculated formula	C11 H13 Cs3 N2 O18 V2
SMILES	[Cs+].O1[V]234(OC(=O)C[N]4(CC1=O)CC1[O]2[V]245(OC(=O)C[N]5(CC(O2)=O)C1)(=O)OO4)(=O)OO3.[Cs+].[Cs+].O.O.O
Title of publication	Mononuclear and Dinuclear Monoperoxovanadium(V) Complexes with a Hetero Ligand. 1.1 Self-Decomposition Reaction, Detection of Reactive Oxygen Species, and Oxidizing Ability
Authors of publication	Kan Kanamori; Kazuya Nishida; Nanako Miyata; Toshiyuki Shimoyama; Kaori Hata; Chie Mihara; Ken-ichi Okamoto; Yuriko Abe; Shingo Hayakawa; Seiichi Matsugo
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7127 - 7140
a	9.885 ± 0.001 Å
b	26.997 ± 0.003 Å
c	9.929 ± 0.001 Å
α	90°
β	113.03 ± 0.01°
γ	90°
Cell volume	2438.5 ± 0.5 Å³
Cell temperature	273.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.996
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311860.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311860.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311860.cif
3362	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311860 via cif-deposit CGI script.	4311860.cif