Crystallography Open Database

Information card for entry 4306075

Preview

Coordinates	4306075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H62 Mo N2 P2 S4 Se
Calculated formula	C64 H54 Mo N2 P2 S4 Se
Title of publication	Selenidobis(dithiolene)metal(IV) Complexes (Metal M = Mo, W) Potentially Related to the Nicotinic Acid Hydroxylase Reaction Center: Redox Aspects in Electrochemistry and Oxygen Atom Transfer from Me3NO to MIV Centers
Authors of publication	Hiroyuki Tano; Reiko Tajima; Hiroyuki Miyake; Shinobu Itoh; Hideki Sugimoto
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7465 - 7467
a	12.668 ± 0.0019 Å
b	13.1139 ± 0.0019 Å
c	19.873 ± 0.003 Å
α	95.3787 ± 0.0019°
β	95.569 ± 0.003°
γ	112.36 ± 0.003°
Cell volume	3008 ± 0.8 Å³
Cell temperature	113.1 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	0.0632
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4306075.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306075.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306075.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306075.cif