Crystallography Open Database

Information card for entry 7004287

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Coordinates	7004287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 Li4 N4
Calculated formula	C40 H72 Li4 N4
Title of publication	Solid-state and solution structures of hetero-aggregates formed between nBuLi and NCN pincer aryl lithium
Authors of publication	Chase, Preston A.; Lutz, Martin; Spek, Anthony L.; Gossage, Robert A.; van Koten, Gerard
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	42
Pages of publication	5783 - 5790
a	10.2596 ± 0.0001 Å
b	10.7254 ± 0.0002 Å
c	19.3963 ± 0.0003 Å
α	88.6961 ± 0.0007°
β	89.1097 ± 0.0008°
γ	74.9462 ± 0.0006°
Cell volume	2060.45 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0824
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1839
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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