Crystallography Open Database

Information card for entry 7239895

Preview

Coordinates	7239895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H25.5 Cu1.5 N4.5 O9
Calculated formula	C28.5 H25.5 Cu1.5 N4.5 O9
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	11.168 ± 0.0008 Å
b	25.2917 ± 0.0018 Å
c	21.2081 ± 0.0019 Å
α	90°
β	96.363 ± 0.007°
γ	90°
Cell volume	5953.5 ± 0.8 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.0392
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 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.	7239895.cif