Crystallography Open Database

Information card for entry 4304815

Preview

Coordinates	4304815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 Mo2 O P S6
Calculated formula	C38 H43 Mo2 O P S6
SMILES	[Mo]12345(S[Mo]6(S1)(=S)SS6)(=S)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	Trithio-Chloro Molybdate [MoClS3]-: A Versatile Precursor for Molybdenum Trisulfido Complexes
Authors of publication	Jun-ichi Ito; Yasuhiro Ohki; Masatoshi Iwata; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3763 - 3771
a	10.956 ± 0.002 Å
b	11.307 ± 0.002 Å
c	18.199 ± 0.003 Å
α	82.324 ± 0.007°
β	84.8 ± 0.007°
γ	61.785 ± 0.004°
Cell volume	1967.8 ± 0.6 Å³
Cell temperature	173.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	1.35
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.	4304815.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304815.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304815.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304815.cif