Information card for entry 2207022

Structure parameters

• Chemical name: Bis[1-(2,6-dimethylanilino)propane-1,2-dione dioximato]nickel(II)
• Formula: C22 H28 N6 Ni O4
• Calculated formula: C22 H28 N6 Ni O4
• SMILES: c1(NC2C(=N([Ni]3([N]=2O)[N](=C(C(=N3=O)C)Nc2c(cccc2C)C)O)=O)C)c(cccc1C)C
• Title of publication: Bis[1-(2,6-dimethylanilino)propane-1,2-dione dioximato]nickel(II)
• Authors of publication: Batı, Hümeyra; Zülfikaroğlu, Ayşin; Taş, Murat; Andac, Omer; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2033 - m2035
• a: 8.1081 ± 0.0004 Å
• b: 16.0311 ± 0.0008 Å
• c: 8.9223 ± 0.0004 Å
• α: 90°
• β: 94.202 ± 0.001°
• γ: 90°
• Cell volume: 1156.62 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes