Crystallography Open Database

Information card for entry 4305916

Preview

Coordinates	4305916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Cl4 Mo2 N2 S8
Calculated formula	C28 H44 Cl4 Mo2 N2 S8
SMILES	[Mo]12(S[Mo]3(S2)(=S)Sc2c(Cl)ccc(Cl)c2S3)(Sc2c(Cl)ccc(Cl)c2S1)=S.[N+](CC)(CC)(CC)CC.[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	17.118 ± 0.003 Å
b	13.014 ± 0.003 Å
c	18.085 ± 0.004 Å
α	90°
β	92.013 ± 0.004°
γ	90°
Cell volume	4026.4 ± 1.5 Å³
Cell temperature	113.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
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.	4305916.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305916.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305916.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305916.cif