Crystallography Open Database

Information card for entry 7009624

Preview

Coordinates	7009624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H59 Li N4 Si2
Calculated formula	C34 H59 Li N4 Si2
SMILES	[Si](C1=[N]([Li]2(N1C(=C[Si](C)(C)C)c1ccccc1)[N](C)(CC[N]2(C)C)C)c1ccccc1)(C)(C)C.C1CCC(CC1)C
Title of publication	Reactions of LiCHR2 and related lithium alkyls with α-H free nitriles and the crystal structures of eleven representative lithium 1,3-diazaallyls, 1-azaallyls and β-diketiminates
Authors of publication	Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus; Liu, Dian-Sheng; Sablong, Rafael; Shun, Tian
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	14
Pages of publication	2301
a	13.688 ± 0.004 Å
b	20.777 ± 0.008 Å
c	14.787 ± 0.002 Å
α	90°
β	117.527 ± 0.017°
γ	90°
Cell volume	3729 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1779
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179800 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/96.	7009624.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009624.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009624.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009624.cif