Crystallography Open Database

Information card for entry 7707885

Preview

Coordinates	7707885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H121 O2 P2 S2 Si8 U2
Calculated formula	C71 H121 O2 P2 S2 Si8 U2
Title of publication	Synthesis and reactivity of the uranium phosphinidene metallocene [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(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.
Authors of publication	Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	36
Pages of publication	12502 - 12516
a	12.2187 ± 0.0001 Å
b	17.1216 ± 0.0002 Å
c	22.5679 ± 0.0002 Å
α	81.938 ± 0.001°
β	76.421 ± 0.001°
γ	71.801 ± 0.001°
Cell volume	4348.28 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269716 (current)	2021-10-06	cif/ Updating files of 7707884, 7707885, 7707886, 7707887, 7707888, 7707889, 7707890, 7707891 Original log message: Adding full bibliography for 7707884--7707891.cif.	7707885.cif
267772	2021-07-28	cif/ Adding structures of 7707884, 7707885, 7707886, 7707887, 7707888, 7707889, 7707890, 7707891 via cif-deposit CGI script.	7707885.cif