Information card for entry 1548870

Structure parameters

• Formula: C33 H59 B Cl N5 O
• Calculated formula: C33 H59 B Cl N5 O
• SMILES: [Cl-].O1CCCC1.N1(C(N(C(=C1C)C)C(C)C)=[B](=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C=NC1CCCCC1)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: 15.6878 ± 0.0002 Å
• b: 12.3457 ± 0.0001 Å
• c: 36.8495 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7136.9 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No