Crystallography Open Database

Information card for entry 7132420

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Coordinates	7132420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 I Mo3 S4 U
Calculated formula	C40 H60 I Mo3 S4 U
Title of publication	Molybdenum sulphide clusters as redox-active supports for low-valent uranium.
Authors of publication	Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	5
Pages of publication	530 - 533
a	11.2243 ± 0.00009 Å
b	20.51803 ± 0.00014 Å
c	21.54896 ± 0.00019 Å
α	79.9966 ± 0.0007°
β	75.1189 ± 0.0007°
γ	87.6951 ± 0.0006°
Cell volume	4723.32 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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 all reflections	0.0475
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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