Information card for entry 4071323

Structure parameters

• Formula: C15 H24 B Cl2 Hf N
• Calculated formula: C15 H24 B Cl2 Hf N
• SMILES: [Hf]12345678(Cl)(Cl)([N]9([B]3([CH]6=[C]1([CH]5=9)C)C)C)[c]1([c]8([cH]7[c]2([c]41C)C)C)C
• Title of publication: Anionic Multisubstituted 1,2-Azaborolyl Ligands: Syntheses, Characterization, and Coordination Chemistry
• Authors of publication: Fang, Xiangdong; Assoud, Jalil
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2408
• a: 8.7643 ± 0.0008 Å
• b: 13.545 ± 0.0012 Å
• c: 15.1449 ± 0.0013 Å
• α: 90°
• β: 105.048 ± 0.002°
• γ: 90°
• Cell volume: 1736.2 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0181
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No