Information card for entry 4311568

Structure parameters

• Common name: Tp(Ph,Me)Zn(acac)
• Chemical name: Hydrotris(3-phenyl-5-methyl-pyrazol-1-yl)borato-zink-acetylacetonat
• Formula: C37 H38 B N7 O2 Zn
• Calculated formula: C37 H38 B N7 O2 Zn
• SMILES: [Zn]123([n]4n([BH](n5[n]1c(cc5C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc4c1ccccc1)C)[O]=C(C)C=C(O3)C.N#CC
• Title of publication: Pyrazolylborate-Zinc Alkoxide Complexes. 3. Acid-Base Reactions
• Authors of publication: Horst Brombacher; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6054 - 6060
• a: 17.2061 ± 0.0017 Å
• b: 12.7515 ± 0.0012 Å
• c: 16.5139 ± 0.0017 Å
• α: 90°
• β: 93.275 ± 0.002°
• γ: 90°
• Cell volume: 3617.3 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2021
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No