Information card for entry 1548871

Structure parameters

• Formula: C51 H78 B Cl N6 Ni O2 Si2
• Calculated formula: C51 H78 B Cl N6 Ni O2 Si2
• SMILES: [Ni]12(Cl)([Si]3(Oc4c(O3)cccc4)N([Si](C)(C)C)c3c(C(C)C)cccc3C(C)C)C(=NCc3ccccc3)[B]1(=C1N(C(C)C)C(=C(N1C(C)C)C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)[H]2
• 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: 14.0633 ± 0.0007 Å
• b: 26.4632 ± 0.0011 Å
• c: 18.1718 ± 0.001 Å
• α: 90°
• β: 100.801 ± 0.005°
• γ: 90°
• Cell volume: 6643 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1852
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No