Information card for entry 7131018

Structure parameters

• Formula: C48 H65 N5 Ni Si
• Calculated formula: C48 H65 N5 Ni Si
• SMILES: [Ni]12(N([Si]3([N](C(C)(C)C)=C(N3C(C)(C)C)c3ccccc3)N1c1c(cccc1C(C)C)C(C)C)c1c(C2(C)C)cccc1C(C)C)C#[N]c1c(C)cccc1C
• Title of publication: Synthesis and reactivity of a -1,2-dinitrogen dinickel(II) complex with C-H activated silaamidinate pincer ligand
• Authors of publication: Hu , Chaopeng; Ding, Yazhou; Bai, Yunping; Guo, Lulu; Cui, Chunming
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 24.045 ± 0.002 Å
• b: 12.0991 ± 0.0016 Å
• c: 15.7064 ± 0.0015 Å
• α: 90°
• β: 100.38 ± 0.009°
• γ: 90°
• Cell volume: 4494.6 ± 0.8 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• 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: 0.1788
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2358
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No