Information card for entry 4347875

Structure parameters

• Formula: C64 H54 N8 Zn3
• Calculated formula: C64 H54 N8 Zn3
• SMILES: C(C)[Zn]1n2c(cc(c3ccccc3)[n]2[Zn]2(n3c(cc(c4ccccc4)[n]13)c1ccccc1)[n]1c(cc(c3ccccc3)n1[Zn](CC)[n]1c(cc(c3ccccc3)n21)c1ccccc1)c1ccccc1)c1ccccc1
• 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: 10.847 ± 0.0003 Å
• b: 16.084 ± 0.0004 Å
• c: 16.389 ± 0.0005 Å
• α: 70.219 ± 0.001°
• β: 85.27 ± 0.002°
• γ: 75.359 ± 0.002°
• Cell volume: 2603.18 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No