Information card for entry 2218812

Structure parameters

• Common name: Hexa-μ~2~-bromido-μ~4~-oxo-tetrakis[(nicotine)copper(II)]
• Chemical name: hexa-μ~2~-bromido-μ~4~-oxo-tetrakis{[3-(1-methyl-2-pyrrolidinyl)pyridine-\ κN]copper(II)}
• Formula: C40 H56 Br6 Cu4 N8 O
• Calculated formula: C40 H56 Br6 Cu4 N8 O
• SMILES: [Br]1[Cu]23([Br][Cu]45([Br][Cu]61([Br][Cu]([Br]2)([Br]4)([n]1cc(ccc1)[C@@H]1CCCN1C)[O]356)[n]1cc(ccc1)[C@@H]1CCCN1C)[n]1cc(ccc1)[C@@H]1CCCN1C)[n]1cc(ccc1)[C@@H]1CCCN1C
• Title of publication: Hexa-μ~2~-bromido-μ~4~-oxo-tetrakis[(nicotine)copper(II)]
• Authors of publication: Jiang, Zhengjing; Tang, Guodong; Lu, Lude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m958 - m959
• a: 12.9505 ± 0.0005 Å
• b: 13.285 ± 0.0003 Å
• c: 14.2555 ± 0.0002 Å
• α: 90°
• β: 92.221 ± 0.002°
• γ: 90°
• Cell volume: 2450.78 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes