Crystallography Open Database

Information card for entry 7043430

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Coordinates	7043430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 Cl3 Nb S Se2
Calculated formula	C5 H12 Cl3 Nb S Se2
Title of publication	Chalcogenoether complexes of Nb(V) thio- and seleno-halides as single source precursors for low pressure chemical vapour deposition of NbS2 and NbSe2 thin films
Authors of publication	Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.0061 ± 0.0001 Å
b	10.0061 ± 0.0001 Å
c	26.11 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2614.19 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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