Information card for entry 4323560

Structure parameters

• Common name: Salpen(tBu){B(OMe)2}2
• Formula: C45 H45 B3 N3 O6
• Calculated formula: C40.5 H63.5 B2 N2 O6
• Title of publication: Bimetallic Borate Derivatives of the Salen Ligands
• Authors of publication: Pingrong Wei; David A. Atwood
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4060 - 4065
• a: 9.4889 ± 0.0005 Å
• b: 14.9421 ± 0.0007 Å
• c: 15.0699 ± 0.0007 Å
• α: 82.988 ± 0.001°
• β: 87.089 ± 0.001°
• γ: 77.277 ± 0.001°
• Cell volume: 2067.99 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0823
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections: 0.2089
• Weighted residual factors for significantly intense reflections: 0.2027
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No