Information card for entry 4320051

Structure parameters

• Formula: C22 H28 O5 Zn
• Calculated formula: C22 H28 O5 Zn
• 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: 8.082 ± 0.0002 Å
• b: 17.15 ± 0.0003 Å
• c: 14.909 ± 0.0003 Å
• α: 90°
• β: 100.219 ± 0.0012°
• γ: 90°
• Cell volume: 2033.7 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No