Information card for entry 4322184

Structure parameters

• Formula: C10 H14 O12 Zn
• Calculated formula: C10 H14 O12 Zn
• SMILES: C1(=C(C(=O)C1=O)OC)O[Zn]([OH2])([OH2])(OC1=C(C(=O)C1=O)OC)([OH2])[OH2]
• Title of publication: First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion
• Authors of publication: Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3716 - 3720
• a: 12.398 ± 0.002 Å
• b: 13.1594 ± 0.0015 Å
• c: 8.7505 ± 0.0008 Å
• α: 90°
• β: 96.709 ± 0.009°
• γ: 90°
• Cell volume: 1417.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.0789
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No