Information card for entry 4117176

Structure parameters

• Common name: Bis[Hydrotris(3-(4'-methyl-3'-pyridyl)-5-methyl-pyrazol-1-yl)borato -zinc-hydroxide]hydroperchlorate
• Formula: C62 H75 B2 Cl N18 O9 Zn2
• Calculated formula: C62 H75 B2 Cl N18 O9 Zn2
• Title of publication: Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes
• Authors of publication: Michael Ruf; Karl Weis; Heinrich Vahrenkamp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 9288 - 9294
• a: 16.431 ± 0.0015 Å
• b: 21.604 ± 0.002 Å
• c: 20.159 ± 0.002 Å
• α: 90°
• β: 97.55 ± 0.008°
• γ: 90°
• Cell volume: 7093.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2103
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections: 0.3166
• Weighted residual factors for significantly intense reflections: 0.2077
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No