Crystallography Open Database

Information card for entry 7223764

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Coordinates	7223764.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lithium 1-Hydroxy-4-nitroanthraquinone
Formula	C14 H8 Li N O6
Calculated formula	C14 H8 Li N O6
Title of publication	Coordination environments and π-conjugation in dense lithium coordination polymers
Authors of publication	Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	3
Pages of publication	398
a	4.8953 ± 0.0004 Å
b	13.2668 ± 0.001 Å
c	19.1081 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1240.97 ± 0.17 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.1606
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1745
Goodness-of-fit parameter for all reflections included in the refinement	1.0796
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	7223764.cif
173634	2016-01-07	cif/ Adding structures of 7223753, 7223754, 7223755, 7223756, 7223757, 7223758, 7223759, 7223760, 7223761, 7223762, 7223763, 7223764, 7223765, 7223766, 7223767, 7223768, 7223769 via cif-deposit CGI script.	7223764.cif