Crystallography Open Database

Information card for entry 4340183

Preview

Coordinates	4340183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 Cl2 N14 O11 S4 V2
Calculated formula	C24 H34 Cl2 N14 O11 S4 V2
Title of publication	Unprecedented [V2O]6+ core of a centrosymmetric thiosemicarbazonato dimer: spontaneous deoxygenation of oxovanadium(IV).
Authors of publication	Shongwe, Musa S.; Al-Kharousi, Huda N R; Adams, Harry; Morris, Michael J.; Bill, Eckhard
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1103 - 1107
a	9.286 ± 0.003 Å
b	9.478 ± 0.003 Å
c	21.541 ± 0.006 Å
α	90°
β	96.008 ± 0.005°
γ	90°
Cell volume	1885.5 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1365
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
179504 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01.	4340183.cif
118661	2014-06-30	cif/ Adding structures of 4340183 via cif-deposit CGI script.	4340183.cif