Information card for entry 1548869

Structure parameters

• Formula: C27 H49 B Cl N5
• Calculated formula: C27 H49 B Cl N5
• SMILES: [Cl-].N1(C(N(C(=C1C)C)C(C)C)=[B](=C1N(C(=C(N1C(C)C)C)C)C(C)C)C=NC(C)(C)C)C(C)C
• Title of publication: Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni^II complex with isocyanides and CO.
• Authors of publication: Hadlington, T. J.; Szilvási, T; Driess, M.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 2595 - 2600
• a: 13.7173 ± 0.0002 Å
• b: 15.3059 ± 0.0002 Å
• c: 15.7157 ± 0.0002 Å
• α: 90°
• β: 110.275 ± 0.002°
• γ: 90°
• Cell volume: 3095.16 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No