Information card for entry 2211908

Structure parameters

• Chemical name: Bis(μ-acetylacetonato-κ^2^O:O')bis[aqua(acetylacetonato-κ^2^O,O')nickel(II)] hemihydrate
• Formula: C20 H34 Ni2 O11
• Calculated formula: C20 H34 Ni2 O11
• SMILES: CC1=CC(=[O][Ni]23(O1)([OH2])[O](C(=CC(=[O]3)C)C)[Ni]13(OC(=CC(C)=[O]1)C)([O]2C(=CC(=[O]3)C)C)[OH2])C.O
• Title of publication: Bis(μ-acetylacetonato-κ^2^<i>O</i>:<i>O</i>')bis[(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')aquanickel(II)] hemihydrate
• Authors of publication: Tahir, Asif A.; Hamid, Mazhar; Zeller, Matthias; Mazhar, Muhammad; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m272 - m274
• a: 14.6463 ± 0.0006 Å
• b: 17.1089 ± 0.0007 Å
• c: 10.1294 ± 0.0004 Å
• α: 90°
• β: 98.042 ± 0.001°
• γ: 90°
• Cell volume: 2513.28 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes