Crystallography Open Database

Information card for entry 4106291

Preview

Coordinates	4106291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 Li N3 O7
Calculated formula	C10 H18 Li N3 O7
Title of publication	2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials
Authors of publication	Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9224 - 9227
a	11.0448 ± 0.0003 Å
b	12.0393 ± 0.0003 Å
c	20.2019 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2686.28 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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