Crystallography Open Database

Information card for entry 2022101

2022100 << 2022101 >> 2022102

Preview

Coordinates	2022101.cif
Structure factors	2022101.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquacopper(II)]-bis[μ-2-(pyridin-4-yl)quinoline-4-carboxylato]-κ^2^<i>N</i>^2^,<i>O</i>;κ^2^<i>O</i>,<i>N</i>]
Formula	C30 H26 Cu N4 O8
Calculated formula	C30 H26 Cu N4 O8
SMILES	[Cu]1(OC(=O)c2c3ccccc3nc(c2)c2cc[n](cc2)[Cu](OC(=O)c2c3ccccc3nc(c2)c2cc[n]1cc2)([OH2])[OH2])([OH2])(OC(=O)c1c2ccccc2nc(c1)c1ccncc1)([n]1ccc(cc1)c1cc(C(=O)[O-])c2ccccc2n1)[OH2].O.O.O.O
Title of publication	A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine
Authors of publication	Twaróg, Kamil; Hołyńska, Małgorzata; Kochel, Andrzej
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	500 - 506
a	8.647 ± 0.003 Å
b	8.819 ± 0.003 Å
c	10.125 ± 0.002 Å
α	70.58 ± 0.02°
β	79.61 ± 0.03°
γ	75.26 ± 0.03°
Cell volume	700.3 ± 0.4 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	0.0793
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
251303 (current)	2020-04-30	cif/ hkl/ Adding structures of 2022101, 2022102 via cif-deposit CGI script.	2022101.cif 2022101.hkl