Information card for entry 7052158

Structure parameters

• Common name: 8
• Formula: C38 H48 Cl4 Cu2 N8 O3
• Calculated formula: C38 H48 Cl4 Cu2 N8 O3
• SMILES: c1cn2c(C)[n]1[Cu](Cl)(Cl)[n]1ccn(Cc3ccc(Cn4cc[n](c4C)[Cu](Cl)(Cl)[n]4ccn(Cc5ccc(C2)cc5)c4C)cc3)c1C.O1CCOCC1.C1COCCO1
• Title of publication: The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles
• Authors of publication: Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 669
• a: 8.6006 ± 0.0017 Å
• b: 13.126 ± 0.003 Å
• c: 17.942 ± 0.004 Å
• α: 87.547 ± 0.004°
• β: 87.705 ± 0.004°
• γ: 81.627 ± 0.004°
• Cell volume: 2000.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No