Information card for entry 4320605

Structure parameters

• Common name: 00159b
• Formula: C39 H54 Cu N2 O
• Calculated formula: C39 H54 Cu N2 O
• Title of publication: Three-Coordinate Copper(II)-Phenolate Complexes
• Authors of publication: Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6097 - 6107
• a: 21.62 ± 0.0015 Å
• b: 20.2518 ± 0.0015 Å
• c: 8.3555 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.1351
• Weighted residual factors for significantly intense reflections: 0.1152
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No