Information card for entry 4318600

Structure parameters

• Common name: [ZnTpMePh(acetohyroxamic)]
• Formula: C32 H32 B N7 O2 Zn
• Calculated formula: C29.6 H32 B0.8 N6.4 O3.2 Zn0.8
• Title of publication: Elucidating Drug-Metalloprotein Interactions with Tris(pyrazolyl)borate Model Complexes
• Authors of publication: David T. Puerta; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5075 - 5082
• a: 40.3211 ± 0.0019 Å
• b: 16.9791 ± 0.0007 Å
• c: 10.8209 ± 0.0005 Å
• α: 90°
• β: 105.043 ± 0.001°
• γ: 90°
• Cell volume: 7154.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No