Crystallography Open Database

Information card for entry 4119184

4119183 << 4119184 >> 4119185

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Coordinates	4119184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H23 K Mg O
Calculated formula	C13 H23 K Mg O
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	6.5069 ± 0.0011 Å
b	10.1418 ± 0.0017 Å
c	11.965 ± 0.002 Å
α	90°
β	91.911 ± 0.003°
γ	90°
Cell volume	789.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2454
Weighted residual factors for all reflections included in the refinement	0.2598
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4119184.cif
103254	2014-02-27	cif/ Adding structures of 4119184 via cif-deposit CGI script.	4119184.cif