Information card for entry 2212240

Structure parameters

• Chemical name: Diaquabis{3-methyl-1-phenyl-4-[(E)-phenyl(phenyliminio)methyl]-1H-pyrazol- 5-olato-κ^2^O,N^4^}nickel(II) dimethyl sulfoxide disolvate
• Formula: C50 H52 N6 Ni O6 S2
• Calculated formula: C50 H52 N6 Ni O6 S2
• Title of publication: Diaquabis{3-methyl-1-phenyl-4-[(<i>E</i>)-phenyl(phenyliminio)methyl]-1<i>H</i>-pyrazol-5-olato-κ^2^<i>O</i>,<i>N</i>^4^}nickel(II) dimethyl sulfoxide disolvate
• Authors of publication: Agnete la Cour; Alan Hazell
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m330 - m331
• a: 24.399 ± 0.001 Å
• b: 11.9075 ± 0.0006 Å
• c: 16.8717 ± 0.0008 Å
• α: 90°
• β: 107.421 ± 0.001°
• γ: 90°
• Cell volume: 4676.9 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes