Information card for entry 2220797

Structure parameters

• Chemical name: Bis{2-formyl-4-methyl-6-[(tri-2-pyridylmethyl)iminomethyl]phenolato}nickel(II)
• Formula: C50 H38 N8 Ni O4
• Calculated formula: C50 H38 N8 Ni O4
• SMILES: [Ni]1234([N](=Cc5cc(cc(C=O)c5O3)C)C(c3ncccc3)(c3ncccc3)c3[n]1cccc3)[N](=Cc1cc(cc(C=O)c1O4)C)C(c1ncccc1)(c1ncccc1)c1[n]2cccc1
• Title of publication: Bis{2-formyl-4-methyl-6-[(tri-2-pyridylmethyl)iminomethyl]phenolato}nickel(II)
• Authors of publication: Dang, Yan-Qiu; Yang, Hong-Jun; Tian, Lai-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m231
• a: 11.9592 ± 0.0002 Å
• b: 17.6301 ± 0.0002 Å
• c: 19.6633 ± 0.0003 Å
• α: 90°
• β: 98.202 ± 0.001°
• γ: 90°
• Cell volume: 4103.44 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes