Information card for entry 7129297

Structure parameters

• Formula: C27 H43 N2 Ni O2 P Zn
• Calculated formula: C27 H43 N2 Ni O2 P Zn
• SMILES: [Zn]123[H][Ni]1([P](CCN3C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)(C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds
• Authors of publication: Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 8.3843 ± 0.0008 Å
• b: 8.4994 ± 0.0008 Å
• c: 22.612 ± 0.002 Å
• α: 95.649 ± 0.003°
• β: 90.677 ± 0.003°
• γ: 113.428 ± 0.003°
• Cell volume: 1469.1 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No