Crystallography Open Database

Information card for entry 4129890

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Coordinates	4129890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H64 Si6 Th
Calculated formula	C33 H64 Si6 Th
Title of publication	Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.
Authors of publication	Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	12
Pages of publication	4036 - 4045
a	17.4022 ± 0.001 Å
b	13.7426 ± 0.0008 Å
c	19.3267 ± 0.0011 Å
α	90°
β	112.747 ± 0.0007°
γ	90°
Cell volume	4262.5 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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