Information card for entry 4312332

Structure parameters

• Formula: C30 H40 F12 N8 Ni P2
• Calculated formula: C30 H40 F12 N8 Ni P2
• SMILES: [Ni]123[N]4=C(C(C=[N]2CC[N]1=C(C(=C(NCCc1ncccc1)C)C=[N]3CC4)C)=C(NCCc1ncccc1)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Nickel(II) Cyclidenes with Appended Ethylpyridine Receptor Centers as Molecular Tweezers for Dicarboxylic Acids
• Authors of publication: Jeremy S. Disch; Richard J. Staples; Thomas E. Concolino; Terry E. Haas; Elena V. Rybak-Akimova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6749 - 6763
• a: 15.484 ± 0.005 Å
• b: 10.661 ± 0.002 Å
• c: 21.81 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3600.3 ± 1.9 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No