Information card for entry 4320052

Structure parameters

• Formula: C12 H10 O6 Sn
• Calculated formula: C12 H10 O6 Sn
• SMILES: [Sn]12([O]=C3C(=C(OC=C3)C)O1)[O]=C1C(=C(OC=C1)C)O2
• Title of publication: Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2
• Authors of publication: Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4384 - 4388
• a: 18.908 ± 0.008 Å
• b: 26.355 ± 0.008 Å
• c: 4.971 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2477.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No