Information card for entry 7005366

Structure parameters

• Formula: C28 H33 Cl2 N5 Ni O3 S
• Calculated formula: C28 H33 Cl2 N5 Ni O3 S
• SMILES: [Ni]1(Cl)(Cl)[n]2c3ccccc3n(C)c2CN(S(=O)(=O)C[C@@]23C(=O)C[C@@H](CC2)C3(C)C)Cc2n(C)c3ccccc3[n]12
• Title of publication: Ligand-controlled nuclearity in nickel bis(benzimidazolyl) complexes.
• Authors of publication: Lee, Way-Zen; Tseng, Huan-Sheng; Kuo, Ting-Shen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 24
• Pages of publication: 2563 - 2570
• a: 12.381 ± 0.0006 Å
• b: 14.638 ± 0.0007 Å
• c: 15.553 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2818.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No