Information card for entry 4309745

Structure parameters

• Formula: C44 H40 B N9 Zn
• Calculated formula: C44 H40 B N9 Zn
• Title of publication: Structural and Spectroscopic Study of Reactions between Chelating Zinc-Binding Groups and Mimics of the Matrix Metalloproteinase and Disintegrin Metalloprotease Catalytic Sites: The Coordination Chemistry of Metalloprotease Inhibition
• Authors of publication: Hongshan He; David T. Puerta; Seth M. Cohen; Kenton R. Rodgers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7431 - 7442
• a: 12.8473 ± 0.0015 Å
• b: 13.3709 ± 0.0016 Å
• c: 13.3952 ± 0.0016 Å
• α: 102.369 ± 0.002°
• β: 96.125 ± 0.002°
• γ: 115.455 ± 0.002°
• Cell volume: 1977.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No