Crystallography Open Database

Information card for entry 7239894

Preview

Coordinates	7239894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 N2 O5 Zn
Calculated formula	C13 H9 N2 O5 Zn
Title of publication	New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems
Authors of publication	Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios
Journal of publication	CrystEngComm
Year of publication	2020
a	7.878 ± 0.005 Å
b	12.877 ± 0.005 Å
c	17.325 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1757.5 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0516
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247967 (current)	2020-02-08	cif/ Adding structures of 7239894, 7239895, 7239896, 7239897, 7239898, 7239899, 7239900, 7239901, 7239902 via cif-deposit CGI script.	7239894.cif