Information card for entry 4308201

Structure parameters

• Formula: C40 H50 Cu2 N3 O4.5
• Calculated formula: C40 H49 Cu2 N3 O4.5
• Title of publication: Ferromagnetic vs Antiferromagnetic Coupling in Bis(μ-phenoxo)dicopper(II) Complexes. Tuning of the Nature of Exchange Coupling by Remote Ligand Substituents
• Authors of publication: Phalguni Chaudhuri; Rita Wagner; Thomas Weyhermüller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5134 - 5136
• a: 11.6777 ± 0.0009 Å
• b: 12.9078 ± 0.0015 Å
• c: 13.519 ± 0.002 Å
• α: 79.63 ± 0.02°
• β: 77.03 ± 0.02°
• γ: 67.96 ± 0.02°
• Cell volume: 1830.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.2619
• Weighted residual factors for significantly intense reflections: 0.1113
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No