Crystallography Open Database

Information card for entry 7710611

Preview

Coordinates	7710611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H57 N S Si4 U
Calculated formula	C45 H57 N S Si4 U
SMILES	[c]12([cH]3[c]4([cH]5[cH]1[U]16789%10%112345([c]2([cH]1[c]6([cH]7[cH]82)[Si](C)(C)C)[Si](C)(C)C)[C](=C(/C(S%11)=N/c1ccccc1)c1ccccc1)=[C]9=C%10c1ccccc1)[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	11.8426 ± 0.0002 Å
b	13.5469 ± 0.0002 Å
c	14.926 ± 0.0001 Å
α	85.259 ± 0.001°
β	87.947 ± 0.001°
γ	74.723 ± 0.001°
Cell volume	2301.82 ± 0.06 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 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	0.0334
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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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