Crystallography Open Database

Information card for entry 4347734

Preview

Coordinates	4347734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 Co N3 O4
Calculated formula	C17 H11 Co N3 O4
Title of publication	Bis(carboxyphenyl)-1,2,4-triazole Based Metal-Organic Frameworks: Impact of Metal Ion Substitution on Adsorption Performance.
Authors of publication	Kobalz, K.; Kobalz, M.; Möllmer, J; Junghans, U.; Lange, M.; Bergmann, J.; Dietrich, S.; Wecks, M.; Gläser, R; Krautscheid, H.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	14
Pages of publication	6938 - 6948
a	10.6446 ± 0.0008 Å
b	13.9646 ± 0.0011 Å
c	21.3349 ± 0.0019 Å
α	90°
β	99.797 ± 0.007°
γ	90°
Cell volume	3125.1 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
232476 (current)	2019-11-23	cif/ Adding structures of 4347734 via cif-deposit CGI script.	4347734.cif