Information card for entry 7029737

Structure parameters

• Formula: C18 H8 Cl2 Cu N2 O4
• Calculated formula: C18 H8 Cl2 Cu N2 O4
• SMILES: [Cu]12([n]3c4c5[n]1cccc5ccc4ccc3)OC1C(O2)=C(Cl)C(=O)C(=O)C=1Cl
• 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: 7.4448 ± 0.0001 Å
• b: 13.1466 ± 0.0002 Å
• c: 16.0004 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1566.02 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No