Information card for entry 4322198

Structure parameters

• Formula: C66 H80 B2 N2 O6 Si2
• Calculated formula: C66 H72 B2 N2 O6 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: 13.1273 ± 0.001 Å
• b: 13.7481 ± 0.001 Å
• c: 19.705 ± 0.01 Å
• α: 78.269 ± 0.01°
• β: 80.961 ± 0.01°
• γ: 68.002 ± 0.01°
• Cell volume: 3215.6 ± 1.7 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: 0.097
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections: 0.2051
• Weighted residual factors for significantly intense reflections: 0.1691
• Goodness-of-fit parameter for all reflections: 1.33
• Goodness-of-fit parameter for significantly intense reflections: 1.414
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No