Information card for entry 7006284

Structure parameters

• Formula: C40 H66.5 Cu4 N8 O27.5 P2.5
• Calculated formula: C40 H32 Cu4 N8 O27.5 P2.5
• Title of publication: Metamorphosis of a butterfly: synthesis, structural, thermal, magnetic and DFT characterisation of a ferromagnetically coupled tetranuclear copper(II) complex.
• Authors of publication: Doyle, Robert P.; Bauer, Thomas; Julve, Miguel; Lloret, Francesc; Cano, Joan; Nieuwenhuyzen, Mark; Kruger, Paul E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 5140 - 5147
• a: 14.25 ± 0.009 Å
• b: 18.493 ± 0.012 Å
• c: 21.397 ± 0.014 Å
• α: 90°
• β: 99.3 ± 0.02°
• γ: 90°
• Cell volume: 5565 ± 6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1743
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No