Crystallography Open Database

Information card for entry 4305913

Preview

Coordinates	4305913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Cl2 Mo N O P S6
Calculated formula	C38 H42 Cl2 Mo N O P S6
SMILES	[Mo]12(Sc3c(S1)c(Cl)ccc3Cl)(SSSS2)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC
Title of publication	A New Class of Sulfido/Oxo(dithiolene)-Molybdenum(IV) Complexes Derived from Sulfido/Oxo-Bis(tetrasulfido)molybdenum(IV) Anions
Authors of publication	Hideki Sugimoto; Koichiro Suyama; Kunihisa Sugimoto; Hiroyuki Miyake; Isao Takahashi; Shun Hirota; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10150 - 10157
a	16.427 ± 0.002 Å
b	14.0703 ± 0.0018 Å
c	17.529 ± 0.002 Å
α	90°
β	95.436 ± 0.003°
γ	90°
Cell volume	4033.3 ± 0.8 Å³
Cell temperature	113.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4305913.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305913.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305913.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305913.cif