Information card for entry 4304296

Structure parameters

• Formula: C28 H28 Br2 N2 Ni
• Calculated formula: C28 H28 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[NH]([C@H]([C@@H]([NH]1Cc1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1.Br[Ni]1(Br)[NH]([C@@H]([C@H]([NH]1Cc1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1
• 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: 9.173 ± 0.014 Å
• b: 11.163 ± 0.014 Å
• c: 13.81 ± 0.02 Å
• α: 90.33 ± 0.05°
• β: 98.04 ± 0.06°
• γ: 113.25 ± 0.05°
• Cell volume: 1284 ± 3 ų
• Cell temperature: 99.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No