Crystallography Open Database

Information card for entry 4078870

Preview

Coordinates	4078870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H56 Li Mg N3 Si3
Calculated formula	C21 H56 Li Mg N3 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	9.8686 ± 0.0003 Å
b	16.9877 ± 0.0007 Å
c	19.5686 ± 0.0008 Å
α	90°
β	97.643 ± 0.003°
γ	90°
Cell volume	3251.4 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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.	4078870.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078870.cif
66421	2012-09-09	cif/ Adding structures of 4078866, 4078867, 4078868, 4078869, 4078870, 4078871 via cif-deposit CGI script.	4078870.cif