Information card for entry 7129300

Structure parameters

• Formula: C66 H80 N4 Ni O2 P2 Zn2
• Calculated formula: C66 H80 N4 Ni O2 P2 Zn2
• SMILES: [Zn]12N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)CCC[P]([Ni]([P](CCCN1[Zn]2[N](=C(C)C=C1C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(c1ccccc1)c1ccccc1
• 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: 8.8752 ± 0.0004 Å
• b: 14.3633 ± 0.0006 Å
• c: 48.0556 ± 0.0019 Å
• α: 90°
• β: 90.024 ± 0.001°
• γ: 90°
• Cell volume: 6126 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No