Information card for entry 7129298

Structure parameters

• Formula: C50 H54 N2 Ni O P2 Zn
• Calculated formula: C50 H54 N2 Ni O P2 Zn
• SMILES: [Zn]123N(c4c(cccc4C(C)C)C(C)C)C(=CC(=[N]2CC[P]([Ni]1([H]3)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])(c1ccccc1)c1ccccc1)C)C
• 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: 18.6425 ± 0.0015 Å
• b: 15.4043 ± 0.0013 Å
• c: 16.9677 ± 0.0014 Å
• α: 90°
• β: 113.062 ± 0.002°
• γ: 90°
• Cell volume: 4483.3 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1185
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No