Information card for entry 4064312

Structure parameters

• Formula: C16 H22 B F2 N4 O2 Rh
• Calculated formula: C16 H22 B F2 N4 O2 Rh
• SMILES: [Rh]1(=C2N([B](F)(F)[n]3c1n(cc3)C(C)(C)C)C=CN2C(C)(C)C)(C#[O])C#[O]
• Title of publication: Iridium(I) and Rhodium(I) Carbonyl Complexes with the Bis(3-tert-butylimidazol-2-ylidene)borate Ligand and Unusual B−H Fluorination
• Authors of publication: Chen, Fei; Sun, Jia-Feng; Li, Tao-Yuan; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2006
• a: 9.4801 ± 0.0005 Å
• b: 10.0091 ± 0.0006 Å
• c: 10.943 ± 0.0006 Å
• α: 93.55 ± 0.001°
• β: 90.963 ± 0.001°
• γ: 112.116 ± 0.001°
• Cell volume: 959.2 ± 0.09 ų
• Cell temperature: 298 ± 3 K
• Ambient diffraction temperature: 298 ± 3 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No