Crystallography Open Database

Information card for entry 4002942

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Coordinates	4002942.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	molybdenum pentachloride
Formula	Cl5 Mo
Calculated formula	Cl5 Mo
Title of publication	Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5
Authors of publication	McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S.
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	8
Pages of publication	2952
a	17.9067 ± 0.0014 Å
b	17.605 ± 0.0014 Å
c	5.7065 ± 0.0005 Å
α	90°
β	90.212 ± 0.002°
γ	90°
Cell volume	1798.9 ± 0.3 Å³
Cell temperature	175 ± 5 K
Ambient diffraction temperature	175 ± 5 K
Number of distinct elements	2
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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