Information card for entry 4318815

Structure parameters

• Common name: Tp(Phe,Me)Zn-Cytosinate
• Chemical name: Hydrotris(3-phenyle-5-methyl-pyrazole-1yl)borato-zinc-cytosinate
• Formula: C36.5 H43 B N9 O3.5 Zn
• Calculated formula: C36.5 H42 B N9 O3.5 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: 12.444 ± 0.003 Å
• b: 13.659 ± 0.003 Å
• c: 13.687 ± 0.003 Å
• α: 115.25 ± 0.03°
• β: 107.85 ± 0.03°
• γ: 101.67 ± 0.03°
• Cell volume: 1846.9 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1781
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No