Information card for entry 4327595

Structure parameters

• Common name: LPic,MeZn(CF3COCHCOCF3)
• Chemical name: Hydrotris(5-methyl-3-3'-(4-methyl)-pyridyl-pyrazol-1- yl)borato-zink-hexafloracetylacetonate
• Formula: C37 H35 B F6 N10 O2 Zn
• Calculated formula: C37 H35 B F6 N10 O2 Zn
• Title of publication: Pyrazolylborate-Zinc-Hydrosulfide Complexes and Their Reactions
• Authors of publication: Michael Rombach; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6144 - 6150
• a: 12.135 ± 0.002 Å
• b: 20.655 ± 0.004 Å
• c: 15.792 ± 0.003 Å
• α: 90°
• β: 97.29 ± 0.03°
• γ: 90°
• Cell volume: 3926.2 ± 1.3 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: 0.0998
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1564
• 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