Crystallography Open Database

Information card for entry 4340720

Preview

Coordinates	4340720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H59 F12 N13 O14 S4 V2
Calculated formula	C68 H62 F12 N13 O14 S4 V2
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	14.8802 ± 0.0005 Å
b	22.0171 ± 0.0007 Å
c	21.9728 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7198.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	7
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.0557
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.	4340720.cif
126962	2014-11-12	cif/ Updating files of 4340719, 4340720, 4340721 Original log message: Adding full bibliography for 4340719--4340721.cif.	4340720.cif
122021	2014-08-18	cif/ Adding structures of 4340720 via cif-deposit CGI script.	4340720.cif