Information card for entry 1548866

Structure parameters

• Formula: C44 H71 B Cl N5 Ni O3 Si2
• Calculated formula: C44 H71 B Cl N5 Ni O3 Si2
• SMILES: [Ni]12(Cl)(C(=O)[B]1([Si]1(Oc3ccccc3O1)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)[H]2)=C1N(C(=C(N1C(C)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: 10.8782 ± 0.0001 Å
• b: 25.2119 ± 0.0002 Å
• c: 17.866 ± 0.0001 Å
• α: 90°
• β: 91.948 ± 0.001°
• γ: 90°
• Cell volume: 4897.1 ± 0.07 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: 0.0368
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No