Information card for entry 4078574

Structure parameters

• Formula: C33 H54 B N3 Si2
• Calculated formula: C33 H54 B N3 Si2
• Title of publication: Cyclopropanation and Isomerization Reactions of β-Diketiminato Boron Complexes
• Authors of publication: Xie, Liang; Hu, Hongfan; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4405
• a: 10.799 ± 0.004 Å
• b: 17.115 ± 0.006 Å
• c: 18.214 ± 0.007 Å
• α: 90°
• β: 99.525 ± 0.005°
• γ: 90°
• Cell volume: 3320 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No