Crystallography Open Database

Information card for entry 8000370

Preview

Coordinates	8000370.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AMU1
Chemical name	Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O
Formula	C14 H18 Co N2 O5
Calculated formula	C14 H20 Co N2 O5
Title of publication	Piezochromic Porous Metal-Organic Framework.
Authors of publication	Andrzejewski, Michał; Katrusiak, Andrzej
Journal of publication	The journal of physical chemistry letters
Year of publication	2017
Journal volume	8
Journal issue	1
Pages of publication	279 - 284
a	6.0655 ± 0.0006 Å
b	7.074 ± 0.0006 Å
c	10.725 ± 0.011 Å
α	90°
β	95.28 ± 0.03°
γ	90°
Cell volume	458.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	6
Hermann-Mauguin space group symbol	P 1 m 1
Hall space group symbol	P -2y
Residual factor for all reflections	0.1978
Residual factor for significantly intense reflections	0.171
Weighted residual factors for significantly intense reflections	0.3964
Weighted residual factors for all reflections included in the refinement	0.4412
Goodness-of-fit parameter for all reflections included in the refinement	1.793
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
236652 (current)	2019-11-24	cif/ Adding structures of 8000356, 8000357, 8000358, 8000359, 8000360, 8000361, 8000362, 8000363, 8000364, 8000365, 8000366, 8000367, 8000368, 8000369, 8000370, 8000371, 8000372, 8000373, 8000374, 8000375, 8000376, 8000377, 8000378, 8000379, 8000380, 8000381, 8000382, 8000383, 8000384, 8000385, 8000386, 8000387, 8000388 via cif-deposit CGI script.	8000370.cif