Crystallography Open Database

Information card for entry 4118056

Preview

Coordinates	4118056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Zn
Calculated formula	C6 H10 Zn
Title of publication	Bis(allyl)zinc Revisited: Sigma versus Pi Bonding of Allyl Coordination
Authors of publication	Crispin Lichtenberg; Julien Engel; Thomas P. Spaniol; Ulli Englert; Gerhard Raabe; Jun Okuda
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9805 - 9811
a	10.4865 ± 0.0012 Å
b	10.4865 ± 0.0012 Å
c	5.8982 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	648.61 ± 0.13 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0185
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118056.html