Information card for entry 4318818

Structure parameters

• Chemical name: Hydrotris(3-cumyl-5-methyle-pyrazole-1-yl)-borato-zink-hypoxanthinate
• Formula: C46.83 H54.66 B Cl5.66 N10 O Zn
• Calculated formula: C46.83 H54.66 B Cl5.66 N10 O Zn
• Title of publication: Pyrazolylborate-Zinc-Nucleobase-Complexes, 2:1 Preparations and Structures of TpCum,MeZn and TpPh,MeZn Complexes
• Authors of publication: Dirk Badura; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6013 - 6019
• a: 14.734 ± 0.003 Å
• b: 16.701 ± 0.004 Å
• c: 21.916 ± 0.004 Å
• α: 90°
• β: 92.513 ± 0.016°
• γ: 90°
• Cell volume: 5388 ± 2 ų
• Cell temperature: 177 ± 2 K
• Ambient diffraction temperature: 177 ± 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: 0.199
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No