Information card for entry 4312331

Structure parameters

• Formula: C32 H44 F12 N8 Ni P2
• Calculated formula: C32 H44 F12 N8 Ni P2
• SMILES: [Ni]123[N]4=C/C(C(=[N]1CCC[N]2=C(/C(C=[N]3CCC4)=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: 10.41 ± 0.002 Å
• b: 17.41 ± 0.004 Å
• c: 21.691 ± 0.005 Å
• α: 101.281 ± 0.004°
• β: 94.274 ± 0.005°
• γ: 90.852 ± 0.005°
• Cell volume: 3842.8 ± 1.5 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: 0.1039
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2434
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No