Information card for entry 4321923

Structure parameters

• Chemical name: Tetrakis[(mu2-2-pyridylmethanolato(N,O))(2,4,6-triisopropylthiophenolato)zinc] hexane solvate
• Formula: C90 H130 N4 O4 S4 Zn4
• Calculated formula: C90 H129 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: 18.571 ± 0.004 Å
• b: 28.138 ± 0.006 Å
• c: 20.567 ± 0.009 Å
• α: 90°
• β: 119.14 ± 0.02°
• γ: 90°
• Cell volume: 9387 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No