Information card for entry 4073770

Structure parameters

• Formula: C44 H48 N10 Ni O6
• Calculated formula: C44 H48 N10 Ni O6
• SMILES: C12N(C=CN1CC(=O)Nc1ccccc1)CC(=O)N(c1ccccc1)[Ni]1=2=C2N(C=CN2CC(=O)Nc2ccccc2)CC(=O)N1c1ccccc1.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Unexpected Solvent-Induced Cis/Trans Isomerization and Catalytic Application of a Bis-bidentate Nickel(II) Complex with N-Heterocyclic Carbene and Amido Functionalities
• Authors of publication: Liao, Chuang-Yi; Chan, Kai-Ting; Chang, Yu-Chuan; Chen, Chih-Yuan; Tu, Cheng-Yi; Hu, Ching-Han; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5826
• a: 17.657 ± 0.004 Å
• b: 14.385 ± 0.003 Å
• c: 17.884 ± 0.004 Å
• α: 90°
• β: 112.732 ± 0.007°
• γ: 90°
• Cell volume: 4189.6 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2427
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No