Crystallography Open Database

Information card for entry 7231263

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Coordinates	7231263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 Li N O5
Calculated formula	C13 H16 Li N O5
Title of publication	Hygroscopicity of lithium coordination polymers and their solid solutions
Authors of publication	Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5940
a	5.417 ± 0.0003 Å
b	10.359 ± 0.0006 Å
c	11.4916 ± 0.0006 Å
α	90°
β	99.552 ± 0.001°
γ	90°
Cell volume	635.91 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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