Information card for entry 4320053

Structure parameters

• Formula: C14 H10 O4 Sn
• Calculated formula: C14 H10 O4 Sn
• SMILES: [Sn]12(OC3=CC=CC=CC3=[O]1)OC1=CC=CC=CC1=[O]2
• 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: 7.4934 ± 0.0007 Å
• b: 7.5027 ± 0.001 Å
• c: 12.026 ± 0.002 Å
• α: 78.14 ± 0.006°
• β: 84.493 ± 0.006°
• γ: 74.096 ± 0.005°
• Cell volume: 635.78 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No