Information card for entry 4323827

Structure parameters

• Common name: [Cu2bbpen2](ClO4)2
• Formula: C41 H50 Cl2 Cu2 N8 O13
• Calculated formula: C41 H50 Cl2 Cu2 N8 O13
• Title of publication: Structural and Functional Models for the Dinuclear Copper Active Site in Catechol Oxidases: Syntheses, X-ray Crystal Structures, Magnetic and Spectral Properties, and X-ray Absorption Spectroscopic Studies in Solid State and in Solution
• Authors of publication: Frank Zippel; Friedhelm Ahlers; Rüdiger Werner; Wolfgang Haase; Hans-Friedrich Nolting; Bernt Krebs
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3409 - 3419
• a: 17.478 ± 0.009 Å
• b: 18.795 ± 0.008 Å
• c: 13.888 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4562 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections: 0.1814
• Weighted residual factors for significantly intense reflections: 0.1472
• Goodness-of-fit parameter for all reflections: 0.807
• Goodness-of-fit parameter for significantly intense reflections: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No