Crystallography Open Database

Information card for entry 7249650

Preview

Coordinates	7249650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H3 K N O3
Calculated formula	C5 H3 K N O3
Title of publication	Oxamate-based potassium–organic assembly with the uncommon binodal (6,12)-coordinated alb topology
Authors of publication	Simosono, Cintia A.; Flores, Leonã S.; Simões, Tatiana R. G.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	2
Pages of publication	176 - 183
a	7.2425 ± 0.0002 Å
b	26.0431 ± 0.0009 Å
c	6.4409 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1214.86 ± 0.07 Å³
Cell temperature	292.92 ± 0.1 K
Ambient diffraction temperature	292.92 ± 0.1 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
298192 (current)	2025-03-04	cif/ Updating files of 7249650 Original log message: Adding full bibliography for 7249650.cif.	7249650.cif
296149	2024-11-29	cif/ Adding structures of 7249650 via cif-deposit CGI script.	7249650.cif