Information card for entry 4068560

Structure parameters

• Formula: C60 H74 Cl12 N10 Ni2 O6 S2
• Calculated formula: C60 H74 Cl12 N10 Ni2 O6 S2
• Title of publication: Temperature-Dependent Nuclearity in Bis(benzimidazoyl) Nickel Complexes and Their Catalysis toward Conjugate Addition of Thiophenols to α,β-Enones
• Authors of publication: Lee, Way-Zen; Wang, Tzu-Li; Tsang, Huan-Sheng; Liu, Cheng-Yuan; Chen, Chien-Tien; Kuo, Ting-Shen
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 652
• a: 12.081 ± 0.0002 Å
• b: 12.399 ± 0.0002 Å
• c: 13.775 ± 0.0003 Å
• α: 115.259 ± 0.001°
• β: 92.792 ± 0.0013°
• γ: 106.579 ± 0.0013°
• Cell volume: 1753.6 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No