Crystallography Open Database

Information card for entry 4340721

Preview

Coordinates	4340721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 F6 N8 O6 S2 V
Calculated formula	C37 H34 F6 N8 O6 S2 V
Title of publication	A Well-Defined Terminal Vanadium(III) Oxo Complex.
Authors of publication	King, Amanda E.; Nippe, Michael; Atanasov, Mihail; Chantarojsiri, Teera; Wray, Curtis A.; Bill, Eckhard; Neese, Frank; Long, Jeffrey R.; Chang, Christopher J.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11388 - 11395
a	12.5042 ± 0.0007 Å
b	15.842 ± 0.0009 Å
c	20.147 ± 0.001 Å
α	90°
β	90.8446 ± 0.0009°
γ	90°
Cell volume	3990.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179510 (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 4/34/07.	4340721.cif
126962	2014-11-12	cif/ Updating files of 4340719, 4340720, 4340721 Original log message: Adding full bibliography for 4340719--4340721.cif.	4340721.cif
122022	2014-08-18	cif/ Adding structures of 4340721 via cif-deposit CGI script.	4340721.cif