Information card for entry 7108766

Structure parameters

• Formula: C32 H36 N2 Ni S2
• Calculated formula: C32 H36 N2 Ni S2
• SMILES: [Ni]123N(c4c(S1)cccc4)[C@@H](C1=CC[C@@H]4C([C@H]1C4)(C)C)[C@@H](N3c1c(S2)cccc1)C1=CC[C@@H]2C([C@H]1C2)(C)C
• Title of publication: Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes
• Authors of publication: Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 668
• a: 10.902 ± 0.003 Å
• b: 14.769 ± 0.003 Å
• c: 17.363 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2795.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2704
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No