Information card for entry 2022101

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 ų
• 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 Fobs: Yes