Information card for entry 4323697

Structure parameters

• Chemical name: Hydrotris(5-methyl-3-3'-pyridyl-pyrazole-1-yl)borato-zinc-fluoride
• Formula: C29 H31 B F N9 O Zn
• Calculated formula: C29 H31 B F N9 O Zn
• Title of publication: Simple Zinc Complexes of Pyridyl-Substituted Tris(pyrazolyl)borate Ligands
• Authors of publication: Karl Weis; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5592 - 5596
• a: 11.123 ± 0.005 Å
• b: 11.638 ± 0.007 Å
• c: 13.793 ± 0.004 Å
• α: 72.34 ± 0.03°
• β: 75.32 ± 0.03°
• γ: 73.09 ± 0.05°
• Cell volume: 1600.8 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections: 0.2213
• Weighted residual factors for significantly intense reflections: 0.1946
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No