Crystallography Open Database

Information card for entry 7009390

Preview

Coordinates	7009390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Li2 N6
Calculated formula	C32 H32 Li2 N6
SMILES	[Li]1([NH]([Li]([NH]1c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1
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	18.104 ± 0.003 Å
b	11.5602 ± 0.0016 Å
c	14.2505 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2982.4 ± 0.8 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179797 (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 7/00/93.	7009390.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009390.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009390.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009390.cif