Crystallography Open Database

Information card for entry 7710612

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Coordinates	7710612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H68 Si6 U
Calculated formula	C44 H68 Si6 U
SMILES	[c]12([cH]3[c]4([cH]5[c]1([Si](C)(C)C)[U]16789%10%112345([c]2([cH]8[c]7([cH]6[c]12[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=[C]9=[C]%10=C%11c1ccccc1)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C
Title of publication	Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.
Authors of publication	Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	29
Pages of publication	11072 - 11085
a	12.1443 ± 0.0003 Å
b	12.5856 ± 0.0003 Å
c	18.7447 ± 0.0003 Å
α	99.809 ± 0.002°
β	99.477 ± 0.002°
γ	117.241 ± 0.002°
Cell volume	2411.82 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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