Information card for entry 7039642

Structure parameters

• Common name: Complex 8b
• Chemical name: Complex 8b
• Formula: C36 H39 B N6 Ni O2 Si
• Calculated formula: C36 H39 B N6 Ni O2 Si
• SMILES: C(=O)(C[Si](C)(C)C)[Ni]12(C#[O])[n]3c(cc(C)n3[BH](n3c(C)cc(c4ccccc4)[n]13)n1c(C)cc(c3ccccc3)[n]21)c1ccccc1
• Title of publication: Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.
• Authors of publication: Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14581 - 14590
• a: 11.1566 ± 0.0006 Å
• b: 12.4011 ± 0.0007 Å
• c: 25.4222 ± 0.0012 Å
• α: 90°
• β: 100.042 ± 0.004°
• γ: 90°
• Cell volume: 3463.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No