Crystallography Open Database

Information card for entry 7110817

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Structure parameters

Formula	C59 H81 Li5 N10
Calculated formula	C59 H81 Li5 N10
Title of publication	Pentanuclear asymmetrical ladder structure of the 1,4-dimethylpiperazine solvate of lithium anilide and its implication for the unknown structure of amorphous lithium anilide
Authors of publication	Clegg, William; Liddle, Stephen T.; Mulvey, Robert E.; Robertson, Alan
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	3
Pages of publication	223
a	11.2049 ± 0.0016 Å
b	16.726 ± 0.003 Å
c	17.152 ± 0.003 Å
α	64.592 ± 0.003°
β	80.095 ± 0.004°
γ	85.225 ± 0.004°
Cell volume	2860.1 ± 0.8 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1501
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7110817.cif
180222	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110817.cif
95932	2014-01-28	cif/ Adding structures of 7110817 via cif-deposit CGI script.	7110817.cif