Information card for entry 2231694

Structure parameters

• Chemical name: {2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}nickel(II)
• Formula: C31 H28 N2 Ni O2
• Calculated formula: C31 H28 N2 Ni O2
• SMILES: [Ni]123Oc4ccccc4C(=[N]2CC(C[N]3=C(c2ccccc2O1)c1ccccc1)(C)C)c1ccccc1
• Title of publication: {2,2'-[(2,2-Dimethylpropane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenolato}nickel(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Moghadam, Majid; Froozandeh, Fatemeh; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1173
• a: 23.722 ± 0.003 Å
• b: 9.4716 ± 0.0006 Å
• c: 26.961 ± 0.004 Å
• α: 90°
• β: 124.319 ± 0.009°
• γ: 90°
• Cell volume: 5003.2 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.224
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.614
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes