Crystallography Open Database

Information card for entry 7223719

Preview

Coordinates	7223719.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	naphthaldic acid potassium salt .1H2O K.14.H2O
Formula	C12 H9 K O4
Calculated formula	C12 H9 K O4
Title of publication	Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts
Authors of publication	Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	948
a	7.3837 ± 0.0004 Å
b	30.138 ± 0.002 Å
c	4.8965 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1089.62 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.1848
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
175958 (current)	2016-02-05	cif/ Updating files of 7223717, 7223718, 7223719, 7223720, 7223721, 7223722, 7223723, 7223724 Original log message: Adding full bibliography for 7223717--7223724.cif.	7223719.cif
173490	2016-01-05	cif/ Adding structures of 7223717, 7223718, 7223719, 7223720, 7223721, 7223722, 7223723, 7223724 via cif-deposit CGI script.	7223719.cif