Information card for entry 4347876

Structure parameters

• Formula: C71 H62 N8 Zn3
• Calculated formula: C71 H62 N8 Zn3
• Title of publication: Synthesis and Structure of Alkylzinc 3,5-Diphenylpyrazolates: Dramatic Influence of Steric and Solvent Effects.
• Authors of publication: Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5104 - 5106
• a: 17.1278 ± 0.0004 Å
• b: 15.5508 ± 0.0004 Å
• c: 10.8341 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2885.67 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No