Crystallography Open Database

Information card for entry 7239897

Preview

Coordinates	7239897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 N8 O14 Zn2
Calculated formula	C44 H48 N8 O14 Zn2
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	9.0778 ± 0.0008 Å
b	9.6883 ± 0.0008 Å
c	13.9491 ± 0.0013 Å
α	76.153 ± 0.008°
β	73.459 ± 0.008°
γ	84.233 ± 0.007°
Cell volume	1141.16 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	0.898
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7239897.cif