Information card for entry 4321926

Structure parameters

• Common name: [Bis(pentafluorothiophenolato)(methylpyridylmethanol)zinc]
• Chemical name: [Bis(pentafluorothiophenolato)(6-methyl-2-pyridylmethanol(N,O))zinc]
• Formula: C19 H9 F10 N O S2 Zn
• Calculated formula: C19.4525 H8 F10 N O S2 Zn
• Title of publication: Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase
• Authors of publication: Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1900 - 1907
• a: 13.887 ± 0.003 Å
• b: 10.562 ± 0.002 Å
• c: 15.353 ± 0.003 Å
• α: 90°
• β: 115.46 ± 0.03°
• γ: 90°
• Cell volume: 2033.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0577
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No