Information card for entry 7052153

Structure parameters

• Common name: 3
• Formula: C34 H40 Cl8 Cu2 N8
• Calculated formula: C34 H40 Cl8 Cu2 N8
• SMILES: c1(C)[n]2[Cu](Cl)(Cl)[n]3ccn(Cc4ccc(Cn5c(C)[n](cc5)[Cu](Cl)(Cl)[n]5ccn(Cc6ccc(Cn1cc2)cc6)c5C)cc4)c3C.ClCCl.ClCCl
• 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: 8.598 ± 0.003 Å
• b: 13.177 ± 0.004 Å
• c: 18.105 ± 0.006 Å
• α: 90°
• β: 95.181 ± 0.006°
• γ: 90°
• Cell volume: 2042.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No