Crystallography Open Database

Information card for entry 7009391

Preview

Coordinates	7009391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H44 Li2 N6
Calculated formula	C36 H40 Li2 N6
SMILES	[Li]1([n]2ccc(cc2)C)([n]2ccc(cc2)C)[NH]([Li]([n]2ccc(cc2)C)([n]2ccc(cc2)C)[NH]1c1ccccc1)c1ccccc1
Title of publication	The changing structural chemistry of lithium anilide on solvation by pyridine, 4-methylpyridine or 4-tert-butylpyridine
Authors of publication	Clegg, William; Horsburgh, Lynne; Liddle, Stephen T.; Mackenzie, Fiona M.; Mulvey, Robert E.; Robertson, Alan
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	7
Pages of publication	1225
a	42.3971 ± 0.0006 Å
b	9.614 ± 0.002 Å
c	18.024 ± 0.004 Å
α	90°
β	98.287 ± 0.006°
γ	90°
Cell volume	7270 ± 2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1291
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2038
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009391.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009391.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009391.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009391.cif