Information card for entry 7051929

Structure parameters

• Common name: CCl85d23min
• Formula: C28 H28 Cl4 Cu2 N8
• Calculated formula: C28 H28 Cl4 Cu2 N8
• SMILES: c1n2Cc3cccc(c3)Cn3c[n](cc3)[Cu]34(Cl)[n]5cn(cc5)Cc5cccc(c5)Cn5c[n](cc5)[Cu]([n](c2)c1)(Cl)([Cl]3)[Cl]4
• Title of publication: Influence of the metal-to-ligand ratio on the formation of metal organic complexes
• Authors of publication: Dobrzańska, Liliana; Kleinhans, Dewald J.; Barbour, Leonard J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 813
• a: 9.0726 ± 0.0013 Å
• b: 7.3982 ± 0.0011 Å
• c: 22.319 ± 0.003 Å
• α: 90°
• β: 98.604 ± 0.002°
• γ: 90°
• Cell volume: 1481.2 ± 0.4 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: 0.0665
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No