Crystallography Open Database

Information card for entry 4108985

Preview

Coordinates	4108985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Zn2
Calculated formula	C20 H30 Zn2
SMILES	[Zn]1234([Zn]5678[c]9([c]8([c]5([c]7([c]69C)C)C)C)C)[c]5([c]2([c]3([c]1([c]45C)C)C)C)C
Title of publication	Zinc-Zinc Bonded Zincocene Structures. Synthesis and Characterization of Zn2(η5-C5Me5)2 and Zn2(η5-C5Me4Et)2
Authors of publication	Abdessamad Grirrane; Irene Resa; Amor Rodriguez; Ernesto Carmona; Eleuterio Alvarez; Enrique Gutierrez-Puebla; Angeles Monge; Agustín Galindo; Diego del Río; Richard A. Andersen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	693 - 703
a	6.9329 ± 0.0003 Å
b	10.8831 ± 0.0005 Å
c	13.8384 ± 0.0007 Å
α	109.777 ± 0.001°
β	101.603 ± 0.001°
γ	94.201 ± 0.001°
Cell volume	951.09 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
178835 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/89.	4108985.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108985.cif
57722	2012-05-18	cif/ Adding structures of 4108985 via cif-deposit CGI script.	4108985.cif