Information card for entry 4321924

Structure parameters

• Common name: Tetrakis[(2-quinolylmethanolato)-zinc-(pentafluorothiophenolate)]
• Formula: C66 H36 Cl4 F20 N4 O4 S4 Zn4
• Calculated formula: C66 H36 Cl4 F20 N4 O4 S4 Zn4
• 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: 13.806 ± 0.002 Å
• b: 13.806 ± 0.002 Å
• c: 36.254 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6910.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No