Information card for entry 4311577

Structure parameters

• Common name: Tp(Ph,Me)Zn-OMe
• Chemical name: Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink-methanolat
• Formula: C31 H31 B N6 O Zn
• Calculated formula: C31 H31 B N6 O Zn
• SMILES: [Zn]12([n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C)OC
• Title of publication: Pyrazolylborate-Zinc Alkoxide Complexes. 1. Basic Properties, Methylations, and Heterocumulene Insertions
• Authors of publication: Horst Brombacher; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6042 - 6049
• a: 9.0614 ± 0.0019 Å
• b: 9.912 ± 0.002 Å
• c: 16.412 ± 0.003 Å
• α: 106.14 ± 0.004°
• β: 102.985 ± 0.004°
• γ: 90.631 ± 0.004°
• Cell volume: 1375.5 ± 0.5 ų
• Cell temperature: 248 ± 2 K
• Ambient diffraction temperature: 248 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No