Information card for entry 4323953

Structure parameters

• Chemical name: Hydrotris-(3-cumyl-5-methyl-pyrazol-1-yl)-borato-zink-hydroxid
• Formula: C40 H51 B N6 O2 Zn
• Calculated formula: C40 H51 B N6 O2 Zn
• Title of publication: Small Molecule Chemistry of the Pyrazolylborate-Zinc Unit TpCum,MeZn
• Authors of publication: Michael Ruf; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 6571 - 6578
• a: 8.865 ± 0.001 Å
• b: 22.803 ± 0.002 Å
• c: 19.711 ± 0.001 Å
• α: 90°
• β: 93.46 ± 0.01°
• γ: 90°
• Cell volume: 3977.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1785
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.2046
• Weighted residual factors for significantly intense reflections: 0.14
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No