Crystallography Open Database

Information card for entry 7231261

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Coordinates	7231261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Li N O4
Calculated formula	C12 H14 Li N O4
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	10.1119 ± 0.0018 Å
b	10.5584 ± 0.0019 Å
c	11.746 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1254.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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