Crystallography Open Database

Information card for entry 2005087

2005086 << 2005087 >> 2005088

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Coordinates	2005087.cif
Original IUCr paper	HTML

Structure parameters

Common name	lithium isodicyclopentadienide tetramethylethylenediamine
Chemical name	(N,N,N',N'‒tetramethylethylenediamine)lithium(1+) (1,2,3,3a,7a‒η)‒4,5,6,7‒tetrahydro‒4,7‒methanoindenide
Formula	C16 H27 Li N2
Calculated formula	C16 H27 Li N2
Title of publication	Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-η)-4,5,6,7-Tetrahydro-4,7-methanoindenido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1‒)
Authors of publication	Gallucci, J. C.; Sivik, M. R.; Paquette, L. A.; Zaegel, F.; Meunier, P.; Gautheron, B.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	7
Pages of publication	1673 - 1679
a	8.216 ± 0.002 Å
b	16.164 ± 0.002 Å
c	12.762 ± 0.002 Å
α	90°
β	107.12 ± 0.02°
γ	90°
Cell volume	1619.7 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2548
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections	0.189
Weighted residual factors for significantly intense reflections	0.125
Goodness-of-fit parameter for all reflections	1
Goodness-of-fit parameter for significantly intense reflections	1.253
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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