Crystallography Open Database

Information card for entry 4127477

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Coordinates	4127477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H166 K2 O26 Si6 U2
Calculated formula	C73 H166 K2 O26 Si6 U2
Title of publication	CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.
Authors of publication	Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	24
Pages of publication	9570 - 9577
a	13.9751 ± 0.0002 Å
b	18.1064 ± 0.0003 Å
c	22.0854 ± 0.0005 Å
α	90°
β	93.337 ± 0.002°
γ	90°
Cell volume	5578.99 ± 0.18 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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