Information card for entry 4304297

Structure parameters

• Formula: C32 H34 I2 N4 Ni
• Calculated formula: C32 H34 I2 N4 Ni
• SMILES: I[Ni]1(I)([NH]([C@H]([C@@H]([NH]1Cc1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1)([N]#CC)[N]#CC.I[Ni]1(I)([NH]([C@@H]([C@H]([NH]1Cc1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1)([N]#CC)[N]#CC
• Title of publication: Heterochiral Triangulo Nickel Complex as Evidence of a Large Positive Nonlinear Effect in Catalysis
• Authors of publication: John S. Fossey; Ryosuke Matsubara; Hiroshi Kiyohara; Shū Kobayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 781 - 783
• a: 17.61 ± 0.04 Å
• b: 9.76 ± 0.02 Å
• c: 20.3 ± 0.05 Å
• α: 90°
• β: 114.28 ± 0.1°
• γ: 90°
• Cell volume: 3180 ± 13 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No