Information card for entry 4117174

Structure parameters

• Chemical name: Bis[Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl)- borato-zink-hydroxid]-hydro-perchlorat
• Formula: C39 H47 B Cl N6 O5 Zn
• Calculated formula: C39 H47 B Cl0.5 N6 O3 Zn
• 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: 19.092 ± 0.003 Å
• b: 19.716 ± 0.003 Å
• c: 21.55 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8112 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections: 0.2134
• Weighted residual factors for significantly intense reflections: 0.1442
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No