Information card for entry 4323959

Structure parameters

• Chemical name: Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl) borato-zink-ethylxanthogenat
• Formula: C42 H51 B N6 O S2 Zn
• Calculated formula: C42 H51 B N6 O S2 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: 9.42 ± 0.002 Å
• b: 22.423 ± 0.004 Å
• c: 20.144 ± 0.004 Å
• α: 90°
• β: 92.9 ± 0.03°
• γ: 90°
• Cell volume: 4249.5 ± 1.5 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: 0.1034
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.0925
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No