Information card for entry 4322003

Structure parameters

• Formula: C10 H14 O10 Zn
• Calculated formula: C10 H14 O10 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])([O]=C1C(=O)[C-](C1=O)C)[O]=C1C(=O)[C-](C1=O)C
• Title of publication: First Row Transition Metal Complexes of 1-Methylcyclobutenedione, a Monosubstituted Squarate Ligand
• Authors of publication: Bert D. Alleyne; Hazel-Ann Hosein; Hema Jaggernauth; 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: 2416 - 2421
• a: 8.7929 ± 0.0009 Å
• b: 15.9814 ± 0.0009 Å
• c: 9.7924 ± 0.0004 Å
• α: 90°
• β: 93.606 ± 0.009°
• γ: 90°
• Cell volume: 1373.33 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.0914
• Goodness-of-fit parameter for all reflections: 1.149
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No