Crystallography Open Database

Information card for entry 7223768

Preview

Coordinates	7223768.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lithium formate anhydrous
Formula	C H Li O2
Calculated formula	C H Li O2
SMILES	[O-]C=O.[Li+]
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	12.0297 ± 0.0005 Å
b	12.0413 ± 0.0006 Å
c	13.5174 ± 0.0005 Å
α	90°
β	100.597 ± 0.004°
γ	90°
Cell volume	1924.64 ± 0.15 Å³
Cell temperature	121 ± 1 K
Ambient diffraction temperature	121 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194155 (current)	2017-03-10	cif/7 Fixing some Z values and formulae.	7223768.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.	7223768.cif