Crystallography Open Database

Information card for entry 7710609

Preview

Coordinates	7710609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H90 O2 Si6 U
Calculated formula	C66 H90 O2 Si6 U
SMILES	[U]123456789(O[C@@](C)(c%10ccccc%10)C(=C=C=C(c%10ccccc%10)[C@](O1)(C)c1ccccc1)c1ccccc1)([c]1([Si](C)(C)C)[c]2([Si](C)(C)C)[cH]3[c]4([Si](C)(C)C)[cH]51)[c]1([Si](C)(C)C)[c]6([Si](C)(C)C)[cH]7[c]8([Si](C)(C)C)[cH]91.c1ccccc1.[U]123456789(O[C@](C)(c%10ccccc%10)C(=C=C=C(c%10ccccc%10)[C@@](O1)(C)c1ccccc1)c1ccccc1)([c]1([Si](C)(C)C)[c]2([Si](C)(C)C)[cH]3[c]4([Si](C)(C)C)[cH]51)[c]1([Si](C)(C)C)[c]6([Si](C)(C)C)[cH]7[c]8([Si](C)(C)C)[cH]91.c1ccccc1
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	11.57 ± 0.0005 Å
b	12.2058 ± 0.0005 Å
c	23.538 ± 0.0006 Å
α	90.262 ± 0.003°
β	102.482 ± 0.003°
γ	90.682 ± 0.003°
Cell volume	3245.2 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0734
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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

Version history

Revision	Date	Message	Files
277109 (current)	2022-08-06	cif/ Updating files of 7710605, 7710606, 7710607, 7710608, 7710609, 7710610, 7710611, 7710612, 7710613, 7710614, 7710615, 7710616, 7710617 Original log message: Adding full bibliography for 7710605--7710617.cif.	7710609.cif
276301	2022-06-28	cif/ Adding structures of 7710605, 7710606, 7710607, 7710608, 7710609, 7710610, 7710611, 7710612, 7710613, 7710614, 7710615, 7710616, 7710617 via cif-deposit CGI script.	7710609.cif