Information card for entry 1548865

Structure parameters

• Formula: C50 H82 B Cl N6 Ni O2 Si2
• Calculated formula: C50 H82 B Cl N6 Ni O2 Si2
• SMILES: [Ni]1(Cl)([Si]2(Oc3c(O2)cccc3)N([Si](C)(C)C)c2c(C(C)C)cccc2C(C)C)[H][B](=C2N(C(C)C)C(=C(N2C(C)C)C)C)(=C2N(C(=C(N2C(C)C)C)C)C(C)C)C\1=N/C1CCCCC1
• 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: 27.8322 ± 0.0003 Å
• b: 21.4898 ± 0.0002 Å
• c: 26.4066 ± 0.0003 Å
• α: 90°
• β: 116.468 ± 0.002°
• γ: 90°
• Cell volume: 14138.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No