Information card for entry 4321925

Structure parameters

• Common name: Bis[(2-dimethylammonium)benzylato-zincdibromide]
• Formula: C18 H26 Br4 N2 O2 Zn2
• Calculated formula: C18 H26 Br4 N2 O2 Zn2
• 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: 8.115 ± 0.0006 Å
• b: 11.237 ± 0.0009 Å
• c: 13.852 ± 0.0011 Å
• α: 92.81 ± 0.006°
• β: 91.32 ± 0.007°
• γ: 95.04 ± 0.007°
• Cell volume: 1256.27 ± 0.17 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No