Crystallography Open Database

Information card for entry 4127476

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Coordinates	4127476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H172 K2 O25 Si6 U2
Calculated formula	C79 H172 K2 O25 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	14.203 ± 0.0003 Å
b	17.5377 ± 0.0004 Å
c	25.3851 ± 0.0004 Å
α	78.8955 ± 0.0018°
β	88.5451 ± 0.0015°
γ	68.93 ± 0.002°
Cell volume	5783.3 ± 0.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 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	0.0465
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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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