Crystallography Open Database

Information card for entry 4127474

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Coordinates	4127474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H163 K2 O31 Si6 U2
Calculated formula	C75 H163 K2 O31 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	13.5015 ± 0.0003 Å
b	18.6524 ± 0.0005 Å
c	45.9564 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	11573.4 ± 0.5 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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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