Information card for entry 4347877

Structure parameters

• Formula: C38 H40 N4 O Zn2
• Calculated formula: C38 H40 N4 O Zn2
• SMILES: C(C)[Zn]12[O]3(CCCC3)[Zn](CC)([n]3c(cc(n23)c2ccccc2)c2ccccc2)n2c(cc(c3ccccc3)[n]12)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: 25.83 ± 0.002 Å
• b: 7.942 ± 0.0006 Å
• c: 18.0693 ± 0.0017 Å
• α: 90°
• β: 107.332 ± 0.008°
• γ: 90°
• Cell volume: 3538.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No