Information card for entry 7005360

Structure parameters

• Formula: C28 H34 Cl2 N10 Ni O8
• Calculated formula: C28 H34 Cl2 N10 Ni O8
• SMILES: [Ni]12([n]3c4ccccc4n(C)c3C[NH]1Cc1n(C)c3ccccc3[n]21)([N]#CC)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• 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: 11.155 ± 0.0003 Å
• b: 12.232 ± 0.0004 Å
• c: 14.519 ± 0.0004 Å
• α: 83.764 ± 0.001°
• β: 74.61 ± 0.001°
• γ: 63.773 ± 0.001°
• Cell volume: 1713.32 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No