Crystallography Open Database

Information card for entry 1568047

Preview

Coordinates	1568047.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Hf(Cp'')2Cl2]
Formula	C22 H42 Cl2 Hf Si4
Calculated formula	C22 H42 Cl2 Hf Si4
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	17.8746 ± 0.0012 Å
b	9.0854 ± 0.0005 Å
c	18.3865 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2985.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1568047.cif
279742	2022-12-07	cif/ Adding structures of 1568047, 1568048, 1568049, 1568050, 1568051, 1568052, 1568053, 1568054, 1568055 via cif-deposit CGI script.	1568047.cif