Information card for entry 7029739

Structure parameters

• Formula: C20 H14 Cl2 Cu N2 O5
• Calculated formula: C20 H14 Cl2 Cu N2 O5
• SMILES: [Cu]12([n]3c4c5[n]2cccc5ccc4ccc3)(OC2C(O1)=C(Cl)C(=O)C(=O)C=2Cl)[OH]CC
• Title of publication: A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.
• Authors of publication: Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7208 - 7218
• a: 9.0076 ± 0.0001 Å
• b: 7.4235 ± 0.0001 Å
• c: 14.1624 ± 0.0002 Å
• α: 90°
• β: 90.873 ± 0.001°
• γ: 90°
• Cell volume: 946.9 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No