Information card for entry 4311571

Structure parameters

• Common name: Tp(Ph,Me)Zn-2,4-thiazolidindionat
• Chemical name: Hydrotris(3-phenyl-5-methylpyrazol-1-yl)borato-zink-2,4-thiazolidindionat
• Formula: C35 H33 B N8 O2 S Zn
• Calculated formula: C35 H33 B N8 O2 S Zn
• SMILES: [Zn]12([n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C)N1C(=O)CSC1=O.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: 12.0483 ± 0.0009 Å
• b: 12.5006 ± 0.001 Å
• c: 14.4961 ± 0.0011 Å
• α: 65.78 ± 0.001°
• β: 69.35 ± 0.001°
• γ: 62.037 ± 0.001°
• Cell volume: 1723.5 ± 0.2 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No