Information card for entry 4312333

Structure parameters

• Formula: C31 H42 F12 N8 Ni P2
• Calculated formula: C31 H42 F12 N8 Ni P2
• SMILES: [Ni]123[N]4=CC(C(=[N]1CCC[N]2=C(C(C=[N]3CC4)=C(NCCc1ncccc1)C)C)C)=C(NCCc1ncccc1)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: 10.395 ± 0.003 Å
• b: 12.555 ± 0.004 Å
• c: 14.449 ± 0.005 Å
• α: 90.42 ± 0.006°
• β: 98.703 ± 0.006°
• γ: 97.208 ± 0.006°
• Cell volume: 1848.6 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No