Crystallography Open Database

Information card for entry 7710617

Preview

Coordinates	7710617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H77 O2 Si4 U
Calculated formula	C65 H77 O2 Si4 U
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	12.0572 ± 0.0002 Å
b	13.0416 ± 0.0001 Å
c	19.9628 ± 0.0002 Å
α	79.562 ± 0.001°
β	75.378 ± 0.001°
γ	81.025 ± 0.001°
Cell volume	2967 ± 0.06 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	0.0463
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7710617.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.	7710617.cif