Information card for entry 4322784

Structure parameters

• Chemical name: Hydrotris(3-cumyl-5-methyl-pyrazole-1-yl)borato-zinc-phosphoricacid -hydroxyacetonedimethylketale-p-nitrophenylester
• Formula: C50.5 H63 B N7 O8.5 P Zn
• Calculated formula: C50.5 H63 B N7 O8.5 P Zn
• Title of publication: Attachment of Sugar Phosphates and Nucleotide Derivatives to Pyrazolylborate-Zinc Units
• Authors of publication: Karl Weis; Michael Rombach; Heinrich Vahrenkamp
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2470 - 2475
• a: 13.2213 ± 0.0013 Å
• b: 13.7383 ± 0.0014 Å
• c: 30.303 ± 0.003 Å
• α: 90°
• β: 99.569 ± 0.007°
• γ: 90°
• Cell volume: 5427.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.177
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections: 0.2793
• Weighted residual factors for significantly intense reflections: 0.189
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No