Information card for entry 7051932

Structure parameters

• Formula: C28 H28 Br4 Cu2 N8
• Calculated formula: C28 H28 Br4 Cu2 N8
• SMILES: c1[n]2ccn1Cc1cc(ccc1)Cn1c[n](cc1)[Cu]13(Br)[Br][Cu]2(Br)([Br]3)[n]2cn(Cc3cccc(Cn4c[n]1cc4)c3)cc2
• 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: 9.264 ± 0.005 Å
• b: 7.469 ± 0.004 Å
• c: 22.621 ± 0.011 Å
• α: 90°
• β: 98.926 ± 0.009°
• γ: 90°
• Cell volume: 1546.3 ± 1.4 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: 0.0445
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No