Crystallography Open Database

Information card for entry 4305912

Preview

Coordinates	4305912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H44 Mo N2 S7
Calculated formula	C22 H44 Mo N2 S7
SMILES	[Mo]12(=S)(SSSS1)Sc1ccccc1S2.[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	9.2286 ± 0.0019 Å
b	30.116 ± 0.006 Å
c	10.893 ± 0.002 Å
α	90°
β	100.803 ± 0.002°
γ	90°
Cell volume	2973.8 ± 1 Å³
Cell temperature	113.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	4305912.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305912.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305912.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305912.cif