Information card for entry 7000137

Structure parameters

• Common name: calix(4)phyrin (5)
• Formula: C45 H40 Cl2 Cu Fe2 N4
• Calculated formula: C45 H40 Cl2 Cu Fe2 N4
• Title of publication: Calix[4]phyrin based redox architectures: towards new molecular tools for electrochemical sensing.
• Authors of publication: Bucher, Christophe; Devillers, Charles H.; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Thomas, Fabrice
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 22
• Pages of publication: 3620 - 3631
• a: 14.7414 ± 0.0019 Å
• b: 18.668 ± 0.002 Å
• c: 13.5904 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3740 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No