Crystallography Open Database

Information card for entry 1568055

Preview

Coordinates	1568055.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Nd(Cp'')2{Si(SiMe3)3}]
Formula	C31 H69 Nd Si8
Calculated formula	C31 H69 Nd Si8
Title of publication	Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Authors of publication	Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	3
Pages of publication	621 - 634
a	17.7679 ± 0.0005 Å
b	13.2234 ± 0.0003 Å
c	20.37 ± 0.0006 Å
α	90°
β	110.891 ± 0.003°
γ	90°
Cell volume	4471.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.2133
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
283191 (current)	2023-05-05	cif/ Updating files of 1568047, 1568048, 1568049, 1568050, 1568051, 1568052, 1568053, 1568054, 1568055 Original log message: Adding full bibliography for 1568047--1568055.cif.	1568055.cif
279742	2022-12-07	cif/ Adding structures of 1568047, 1568048, 1568049, 1568050, 1568051, 1568052, 1568053, 1568054, 1568055 via cif-deposit CGI script.	1568055.cif