Crystallography Open Database

Information card for entry 2243782

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Structure parameters

Chemical name	(Borohydrido-κ^3^<i>H</i>)tris[η^5^-(trimethylsilyl)cyclopentadienyl]uranium(IV)
Formula	C24 H43 B Si3 U
Calculated formula	C24 H43 B Si3 U
SMILES	[U]123456789%10%11%12%13%14([H][BH]([H]1)[H]2)([cH]1[cH]4[cH]5[c]3([Si](C)(C)C)[cH]19)([cH]1[cH]6[cH]7[cH]%10[c]1%11[Si](C)(C)C)[cH]1[cH]%12[cH]%13[c]%14([cH]81)[Si](C)(C)C
Title of publication	Crystallographic characterization of (C~5~H~4~SiMe~3~)~3~U(BH~4~)
Authors of publication	Windorff, Cory J.; Cross, Justin N.; Scott, Brian L.; Kozimor, Stosh A.; Evans, William J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	4
Pages of publication	383 - 389
a	8.753 ± 0.0015 Å
b	12.217 ± 0.002 Å
c	13.657 ± 0.002 Å
α	94.159 ± 0.003°
β	96.016 ± 0.003°
γ	103.256 ± 0.003°
Cell volume	1406.6 ± 0.4 Å³
Cell temperature	112 ± 2 K
Ambient diffraction temperature	112 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
263027 (current)	2021-03-13	cif/ hkl/ Adding structures of 2243782 via cif-deposit CGI script.	2243782.cif 2243782.hkl