Information card for entry 7009691

Structure parameters

• Formula: C28 H24 N2 Ni S2
• Calculated formula: C28 H24 N2 Ni S2
• SMILES: [Ni]12(Sc3c([N]1=Cc1cc(ccc1)C)cccc3)Sc1c([N]2=Cc2cccc(c2)C)cccc1
• Title of publication: CH/π interaction in nickel(II) complexes derived from 2-substituted benzothiazolines
• Authors of publication: Kawamoto, Tatsuya; Kushi, Yoshihiko
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 3022
• a: 12.163 ± 0.005 Å
• b: 14.804 ± 0.005 Å
• c: 7.028 ± 0.006 Å
• α: 90.06 ± 0.05°
• β: 106.8 ± 0.05°
• γ: 86.29 ± 0.03°
• Cell volume: 1208.7 ± 1.3 ų
• Cell temperature: 298 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: 0.085
• Weighted residual factors for significantly intense reflections: 0.098
• Goodness-of-fit parameter for significantly intense reflections: 2.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No