Information card for entry 1548867

Structure parameters

• Formula: C38 H63 B Cl N5 O2
• Calculated formula: C38 H63 B Cl N5 O2
• SMILES: [Cl-].N1(C(N(C(=C1C)C)C(C)C)=[B](=C1N(C(=C(N1C(C)C)C)C)C(C)C)(Cc1ccccc1)C#N)C(C)C.C1COCC1.O1CCCC1
• 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: 9.8905 ± 0.0012 Å
• b: 12.6054 ± 0.0014 Å
• c: 16.945 ± 0.002 Å
• α: 69.66 ± 0.011°
• β: 89.159 ± 0.01°
• γ: 78.594 ± 0.01°
• Cell volume: 1938.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1551
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No