Information card for entry 4503715

Structure parameters

• Formula: C18 H16 Cl2 Cu N8
• Calculated formula: C18 H16 Cl2 Cu N8
• SMILES: [Cu]12(Cl)(Cl)([N](c3ccccc3)=Nc3[n]1cc[nH]3)[N](=Nc1[nH]cc[n]21)c1ccccc1
• Title of publication: Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes
• Authors of publication: Pramanik, Avijit; Das, Gopal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 3107
• a: 9.2659 ± 0.0004 Å
• b: 18.106 ± 0.0008 Å
• c: 12.0298 ± 0.0005 Å
• α: 90°
• β: 89.92°
• γ: 90°
• Cell volume: 2018.22 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No