Crystallography Open Database

Information card for entry 7045433

Preview

Coordinates	7045433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 Cl4 Mo S2
Calculated formula	C5 H12 Cl4 Mo S2
SMILES	[Mo]1([S](C)CCC[S]1C)(Cl)(Cl)(Cl)Cl
Title of publication	Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.
Authors of publication	Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	7
Pages of publication	2406 - 2414
a	6.9578 ± 0.0003 Å
b	7.323 ± 0.0002 Å
c	12.584 ± 0.0005 Å
α	77.467 ± 0.003°
β	81.727 ± 0.003°
γ	72.082 ± 0.003°
Cell volume	593.49 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229785 (current)	2019-11-17	cif/ Updating files of 7045431, 7045432, 7045433, 7045434, 7045435, 7045436 Original log message: Adding full bibliography for 7045431--7045436.cif.	7045433.cif
205861	2018-01-30	cif/ Adding structures of 7045431, 7045432, 7045433, 7045434, 7045435, 7045436 via cif-deposit CGI script.	7045433.cif