Crystallography Open Database

Information card for entry 4119181

4119180 << 4119181 >> 4119182

Preview

Coordinates	4119181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 K2 Mg O2
Calculated formula	C20 H36 K2 Mg O2
Title of publication	Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons
Authors of publication	Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	811 - 821
a	9.832 ± 0.004 Å
b	14.414 ± 0.005 Å
c	17.01 ± 0.006 Å
α	90°
β	91.683 ± 0.006°
γ	90°
Cell volume	2409.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2145
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178962 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91.	4119181.cif
103251	2014-02-27	cif/ Adding structures of 4119181 via cif-deposit CGI script.	4119181.cif