Information card for entry 7108765

Structure parameters

• Formula: C32 H36 N2 Ni S2
• Calculated formula: C32 H36 N2 Ni S2
• SMILES: [Ni]12(Sc3ccccc3[N]1=CC1=CC[C@@H]3C([C@H]1C3)(C)C)Sc1ccccc1[N]2=CC1=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: 10.401 ± 0.007 Å
• b: 11.832 ± 0.006 Å
• c: 13.163 ± 0.008 Å
• α: 111.045 ± 0.018°
• β: 100.23 ± 0.02°
• γ: 107.71 ± 0.02°
• Cell volume: 1363.2 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No