Crystallography Open Database

Information card for entry 4109162

Preview

Coordinates	4109162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Zn
Calculated formula	C8 H18 Zn
SMILES	C(C)(C)([Zn]C(C)(C)C)C
Title of publication	From Discrete Linear ZntBu2 Molecules to 1D Coordination Polymers and 2D Fabrics
Authors of publication	Janusz Lewiński; Maciej Dranka; Wojciech Bury; Witold Śliwiński; Iwona Justyniak; Janusz Lipkowski
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3096 - 3098
a	10.337 ± 0.0003 Å
b	9.568 ± 0.0002 Å
c	9.73 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	962.34 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
178837 (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 4/10/91.	4109162.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109162.cif
57917	2012-05-23	cif/ Adding structures of 4109162 via cif-deposit CGI script.	4109162.cif