Crystallography Open Database

Information card for entry 7710607

Preview

Coordinates	7710607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H74 N2 Si4 U
Calculated formula	C51 H74 N2 Si4 U
SMILES	[c]12([cH]3[c]4([cH]5[cH]1[U]167892345([c]2([cH]1[c]6([cH]7[cH]82)[Si](C)(C)C)[Si](C)(C)C)C(=C(C(=N\C1CCCCC1)/N9C1CCCCC1)C#Cc1ccccc1)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	21.5053 ± 0.0003 Å
b	11.6123 ± 0.0002 Å
c	20.7096 ± 0.0003 Å
α	90°
β	91.073 ± 0.001°
γ	90°
Cell volume	5170.82 ± 0.14 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
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	0.0311
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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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