Crystallography Open Database

Information card for entry 7220495

7220494 << 7220495 >> 7220496

Preview

Coordinates	7220495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 K Li O11
Calculated formula	C16 H16 K Li O11
Title of publication	Synthesis, growth, structure and characterization of potassium lithium hydrogen phthalate mixed crystals
Authors of publication	Meenakshisundaram, SP.; Manonmoni, J. Vijila; Ramasamy, G.; Amutha, M.; Prasad, A. Aditya
Journal of publication	RSC Adv.
Year of publication	2015
a	9.4866 ± 0.0003 Å
b	6.769 ± 0.0002 Å
c	15.3967 ± 0.0005 Å
α	90°
β	105.73 ± 0.003°
γ	90°
Cell volume	951.67 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0256
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220495.cif
136944	2015-05-19	cif/ Adding structures of 7220495 via cif-deposit CGI script.	7220495.cif