Information card for entry 7024983

Structure parameters

• Formula: C28 H22 Cu F12 N8 O P2
• Calculated formula: C28 H22 Cu F12 N8 O P2
• SMILES: c1cccc2c3ccc(n[n]3[Cu]3([n]12)([OH2])[n]1ccccc1c1ccc(n[n]31)c1ncccc1)c1ncccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Half a grid is better than no grid: competition between 2,2':6',2''-terpyridine and 3,6-di(pyrid-2-yl)pyridazine for copper(II).
• Authors of publication: Constable, Edwin C.; Decurtins, Silvio; Housecroft, Catherine E.; Keene, Tony D.; Palivan, Cornelia G.; Price, Jason R.; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2337 - 2343
• a: 21.312 ± 0.004 Å
• b: 8.2908 ± 0.0017 Å
• c: 8.9319 ± 0.0018 Å
• α: 90°
• β: 93.43 ± 0.03°
• γ: 90°
• Cell volume: 1575.4 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No