Information card for entry 2201810

Structure parameters

• Chemical name: Bis(triphenylphosphine)iminium μ-acetato-di-μ-acetylacetonato-bis[acetylacetonatomagnesate(II)] monohydrate
• Formula: C58 H63 Mg2 N O11 P2
• Calculated formula: C58 H63 Mg2 N O11 P2
• SMILES: [P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Mg]12(OC(C)=CC(=[O]1)C)([O]1C(C)=CC(=[O]2)C)(OC(C)=[O]2)[O]3C(C)=CC(C)=[O][Mg]1234OC(C)=CC(=[O]4)C.O
• Title of publication: Bis(triphenylphosphine)iminium μ-acetato-di-μ-acetylacetonato-bis[acetylacetonatomagnesate(II)] monohydrate
• Authors of publication: Jones, Peter G.; Álvarez-Falcón, Miguel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m192 - m194
• a: 19.945 ± 0.002 Å
• b: 14.069 ± 0.002 Å
• c: 20.762 ± 0.003 Å
• α: 90°
• β: 106.209 ± 0.006°
• γ: 90°
• Cell volume: 5594.4 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes