Information card for entry 4318816

Structure parameters

• Common name: TpPh,MeZn-DAP
• Chemical name: Hydrotris(5-methyl-3-phenyl-pyrazol-1-yl)borato-zinc-diaminopurinat
• Formula: C37.5 H41.5 B N12 O2.5 Zn
• Calculated formula: C37.5 H41.5 B N12 O2.5 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: 12.394 ± 0.003 Å
• b: 12.793 ± 0.003 Å
• c: 13.099 ± 0.003 Å
• α: 107.28 ± 0.03°
• β: 102.33 ± 0.03°
• γ: 97.69 ± 0.03°
• Cell volume: 1893.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No