Information card for entry 4321927

Structure parameters

• Common name: catena-Poly{[(2,4,6-trimethylbenzaldehyde)pentafluorothiophenolato-zinc] -pentafluorothiophenolato}'
• Formula: C22 H12 F10 O S2 Zn
• Calculated formula: C22 H12 F10 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: 15.591 ± 0.004 Å
• b: 7.2274 ± 0.0015 Å
• c: 40.355 ± 0.005 Å
• α: 90 ± 0.019°
• β: 90 ± 0.02°
• γ: 90 ± 0.03°
• Cell volume: 4547.3 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.3142
• Weighted residual factors for all reflections included in the refinement: 0.3462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No