Information card for entry 1543945

Structure parameters

• Formula: C32 H26 N4 Ni O5
• Calculated formula: C32 H26 N4 Ni O5
• SMILES: [Ni]12([O]=C(O1)Cc1c[nH]c3ccccc13)(OC(=O)Cc1c[nH]c3ccccc13)([OH2])[n]1cccc3ccc4ccc[n]2c4c13
• Title of publication: Synthesis and characterization of novel transition metal complexes with indole acetic acid ligands: Evaluation of their catalytic activity for the oxidation of cyclohexane
• Authors of publication: Na Xing; Li Ting Xu; Feng Ying Bai; Hui Shan; Yong Heng Xing; Zhan Shi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 360 - 366
• a: 13.097 ± 0.003 Å
• b: 12.836 ± 0.003 Å
• c: 16.875 ± 0.003 Å
• α: 90°
• β: 103.91 ± 0.03°
• γ: 90°
• Cell volume: 2753.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No