Crystallography Open Database

Information card for entry 1551203

Preview

Coordinates	1551203.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper Pyridine carboxylate
Chemical name	'Copper Pyridine carboxylate'
Formula	C16 H16 Cu N2 O5
Calculated formula	C16 H16 Cu N2 O5
Title of publication	Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility
Authors of publication	Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan
Journal of publication	Materials Horizons
Year of publication	2019
Journal volume	6
Journal issue	9
Pages of publication	1883
a	11.4487 ± 0.0008 Å
b	12.36 ± 0.0008 Å
c	12.3919 ± 0.0008 Å
α	90°
β	117.201 ± 0.003°
γ	90°
Cell volume	1559.6 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1293
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1785
Weighted residual factors for all reflections included in the refinement	0.2193
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225365 (current)	2019-11-08	cif/ Updating files of 1551202, 1551203 Original log message: Adding full bibliography for 1551202--1551203.cif.	1551203.cif
215687	2019-06-04	cif/ Adding structures of 1551202, 1551203 via cif-deposit CGI script.	1551203.cif