Information card for entry 2203505

Structure parameters

• Chemical name: Bis(dimethyl sulfoxide-κO)bis(1-phenylbutane-1,3-dionate-κ^2^O,O')nickel(II)
• Formula: C24 H30 Ni O6 S2
• Calculated formula: C24 H30 Ni O6 S2
• SMILES: [Ni]12([O]=S(C)C)([O]=C(C=C(C)O1)c1ccccc1)([O]=S(C)C)[O]=C(C=C(C)O2)c1ccccc1
• Title of publication: Bis(dimethyl sulfoxide-κ<i>O</i>)bis(1-phenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Ernest Meštrović; Ivan Halasz; Dejan-Krešimir Bučar; Marijana Žgela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m367 - m369
• a: 7.3772 ± 0.0017 Å
• b: 13.453 ± 0.002 Å
• c: 12.085 ± 0.002 Å
• α: 90°
• β: 92.026 ± 0.018°
• γ: 90°
• Cell volume: 1198.6 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes