Crystallography Open Database

Information card for entry 1570163

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Coordinates	1570163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H176 Al3 O3 U3
Calculated formula	C124 H175.5 Al3 O3 U3
Title of publication	Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.
Authors of publication	Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	43
Pages of publication	12255 - 12263
a	11.7527 ± 0.0003 Å
b	28.5642 ± 0.0006 Å
c	17.9883 ± 0.0004 Å
α	90°
β	106.088 ± 0.001°
γ	90°
Cell volume	5802.3 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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