Information card for entry 4322197

Structure parameters

• Formula: C45 H39 B N O3 Si2
• Calculated formula: C45 H39 B N O3 Si2
• Title of publication: Synthesis and Structures of Salen-Supported Borates Containing Siloxides
• Authors of publication: Pingrong Wei; Timothy Keizer; David A. Atwood
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3914 - 3918
• a: 13.6279 ± 0.0009 Å
• b: 13.6578 ± 0.0009 Å
• c: 14.0519 ± 0.001 Å
• α: 65.838 ± 0.001°
• β: 61.104 ± 0.001°
• γ: 64.21 ± 0.001°
• Cell volume: 1994.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.1194
• Goodness-of-fit parameter for all reflections: 0.544
• Goodness-of-fit parameter for significantly intense reflections: 0.526
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No