Crystallography Open Database

Information card for entry 4338455

Preview

Coordinates	4338455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H106 Fe4 O3 P S7 V
Calculated formula	C107 H106 Fe4 O3 P S7 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	15.978 ± 0.003 Å
b	16.111 ± 0.003 Å
c	22.37 ± 0.004 Å
α	87.81 ± 0.006°
β	82.923 ± 0.005°
γ	79.975 ± 0.005°
Cell volume	5626.6 ± 1.8 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	4338455.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.	4338455.cif
113981	2014-05-20	cif/ Adding structures of 4338450, 4338451, 4338452, 4338453, 4338454, 4338455 via cif-deposit CGI script.	4338455.cif