Information card for entry 4064310

Structure parameters

• Formula: C16 H24 B Ir N4 O2
• Calculated formula: C16 H24 B Ir N4 O2
• SMILES: [Ir]1(=C2N(C=CN2[BH2][n]2ccn(c12)C(C)(C)C)C(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: 9.4388 ± 0.0012 Å
• b: 9.8559 ± 0.0013 Å
• c: 10.9322 ± 0.0014 Å
• α: 92.531 ± 0.002°
• β: 91.78 ± 0.002°
• γ: 111.909 ± 0.001°
• Cell volume: 941.4 ± 0.2 ų
• Cell temperature: 298 ± 3 K
• Ambient diffraction temperature: 298 ± 3 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: 0.031
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.078
• 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