Information card for entry 7029738

Structure parameters

• Formula: C18 H11 Cl2 Cu N2 O5.5
• Calculated formula: C18 H11 Cl2 Cu N2 O5.5
• SMILES: [Cu]12(OC3=C(Cl)C(=O)C(=O)C(=C3O1)Cl)([n]1cccc3c1c1[n]2cccc1cc3)[OH2].O
• 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: 9.5323 ± 0.0001 Å
• b: 18.0066 ± 0.0002 Å
• c: 10.3935 ± 0.0001 Å
• α: 90°
• β: 96.822 ± 0.001°
• γ: 90°
• Cell volume: 1771.35 ± 0.03 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: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No