Crystallography Open Database

Information card for entry 4338454

Preview

Coordinates	4338454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H88 Fe3 N O3 P S5 V
Calculated formula	C71 H88 Fe3 N O3 P S5 V
Title of publication	Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.
Authors of publication	Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	11
Pages of publication	5438 - 5446
a	14.5 ± 0.03 Å
b	16.41 ± 0.03 Å
c	17.69 ± 0.03 Å
α	102.8 ± 0.02°
β	93.233 ± 0.009°
γ	114.945 ± 0.015°
Cell volume	3668 ± 12 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.4614
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179487 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/84.	4338454.cif
115720	2014-06-05	cif/ Updating files of 4338450, 4338451, 4338452, 4338453, 4338454, 4338455 Original log message: Adding full bibliography for 4338450--4338455.cif.	4338454.cif
113981	2014-05-20	cif/ Adding structures of 4338450, 4338451, 4338452, 4338453, 4338454, 4338455 via cif-deposit CGI script.	4338454.cif