Information card for entry 4068559

Structure parameters

• Formula: C20 H27 Cl2 N5 Ni O2
• Calculated formula: C20 H27 Cl2 N5 Ni O2
• SMILES: c12ccccc1n(C)c1C[NH]3Cc4n(C)c5ccccc5[n]4[Ni]3([n]21)([OH]C)([OH]C)Cl.[Cl-]
• 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: 13.5208 ± 0.0019 Å
• b: 8.1518 ± 0.001 Å
• c: 26.366 ± 0.004 Å
• α: 90°
• β: 104.592 ± 0.003°
• γ: 90°
• Cell volume: 2812.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2603
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No