Crystallography Open Database

Information card for entry 4309185

Preview

Coordinates	4309185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 Cl6 N O7 V
Calculated formula	C29 H30 Cl6 N O7 V
SMILES	[V]123(Oc4c(cc(cc4C[N]3(Cc3c(O1)c(cc(c3)Cl)Cl)Cc1c(O2)c(cc(c1)Cl)Cl)Cl)Cl)(=O)[OH2].O1CCCC1.C1CCCO1
Title of publication	Vanadium(III) and Vanadium(V) Amine Tris(Phenolate) Complexes
Authors of publication	Stanislav Groysman; Israel Goldberg; Zeev Goldschmidt; Moshe Kol
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5073 - 5080
a	18.542 ± 0.0004 Å
b	14.695 ± 0.0004 Å
c	23.932 ± 0.0005 Å
α	90°
β	101.223 ± 0.0018°
γ	90°
Cell volume	6396.2 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1337
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 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.	4309185.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309185.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309185.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309185.cif