Crystallography Open Database

Information card for entry 8000367

Preview

Coordinates	8000367.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 H18 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	5.9924 ± 0.0005 Å
b	7.0915 ± 0.0005 Å
c	10.6453 ± 0.0007 Å
α	88.987 ± 0.005°
β	96.008 ± 0.006°
γ	93.603 ± 0.006°
Cell volume	448.97 ± 0.06 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	8000367.cif