Crystallography Open Database

Information card for entry 7020857

7020856 << 7020857 >> 7020858

Preview

Coordinates	7020857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H51 N O9 S4 Si W
Calculated formula	C36 H48 N O9 S4 Si 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	10.45548 ± 0.00019 Å
b	18.3525 ± 0.0003 Å
c	22.3689 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4292.24 ± 0.13 Å³
Cell temperature	108.1 K
Ambient diffraction temperature	108.1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7020857.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020857.cif
73690	2013-02-21	cif/ Adding structures of 7020855, 7020856, 7020857 via cif-deposit CGI script.	7020857.cif