Crystallography Open Database

Information card for entry 7020855

7020854 << 7020855 >> 7020856

Preview

Coordinates	7020855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H52 N2 O9 S4 W
Calculated formula	C28 H52 N2 O9 S4 W
Title of publication	A new series of bis(ene-1,2-dithiolato)tungsten(iv), -(v), -(vi) complexes as reaction centre models of tungsten enzymes: Preparation, crystal structures and spectroscopic properties.
Authors of publication	Sugimoto, Hideki; Hatakeda, Kohei; Toyota, Kazuo; Tatemoto, Susumu; Kubo, Minoru; Ogura, Takashi; Itoh, Shinobu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	9
Pages of publication	3059 - 3070
a	20.0069 ± 0.0008 Å
b	9.2346 ± 0.0004 Å
c	20.0827 ± 0.0007 Å
α	90°
β	94.0939 ± 0.0012°
γ	90°
Cell volume	3700.9 ± 0.3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
179913 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020855.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020855.cif
73690	2013-02-21	cif/ Adding structures of 7020855, 7020856, 7020857 via cif-deposit CGI script.	7020855.cif