Information card for entry 4312291

Structure parameters

• Formula: C45 H68 Cu3 N10 O9
• Calculated formula: C45 H59 Cu3 N10 O9.006
• Title of publication: Bi- and Trinuclear Copper(II) Complexes of a Sterically Constrained Phenol-Based Tetradentate Ligand: Syntheses, Structures, and Magnetic Studies
• Authors of publication: Suman Mukhopadhyay; Debdas Mandal; Pabitra Baran Chatterjee; Cédric Desplanches; Jean-Pascal Sutter; Ray J. Butcher; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8501 - 8509
• a: 12.273 ± 0.003 Å
• b: 16.692 ± 0.003 Å
• c: 24.414 ± 0.005 Å
• α: 90°
• β: 94.996 ± 0.004°
• γ: 90°
• Cell volume: 4982.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2331
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No