Crystallography Open Database

Information card for entry 4304122

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Coordinates	4304122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Li2 N13
Calculated formula	C29 H31 Li2 N13
Title of publication	Synthesis, Characterization, and Reactivity of [Li(N6,N9-Me2Ade-H)]: A Structurally Characterized Lithiated Adenine
Authors of publication	Thomas Krüger; Tobias Rüffer; Heinrich Lang; Christoph Wagner; Dirk Steinborn
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1190 - 1195
a	15.0268 ± 0.0012 Å
b	12.1483 ± 0.0008 Å
c	17.6156 ± 0.0009 Å
α	90°
β	108.786 ± 0.006°
γ	90°
Cell volume	3044.4 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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