Crystallography Open Database

Information card for entry 4078867

Preview

Coordinates	4078867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H49 Li Mg O4 Si3
Calculated formula	C20 H49 Li Mg O4 Si3
Title of publication	Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry
Authors of publication	Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	14
Pages of publication	5131
a	9.6476 ± 0.0005 Å
b	11.0862 ± 0.0006 Å
c	15.5535 ± 0.0006 Å
α	104.171 ± 0.004°
β	96.327 ± 0.004°
γ	111.437 ± 0.005°
Cell volume	1464.12 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178677 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88.	4078867.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078867.cif
66421	2012-09-09	cif/ Adding structures of 4078866, 4078867, 4078868, 4078869, 4078870, 4078871 via cif-deposit CGI script.	4078867.cif