Information card for entry 7706103

Structure parameters

• Formula: C32 H60 N4 O1.5 Zn2
• Calculated formula: C32 H60 N4 O1.5 Zn2
• SMILES: C(C)[Zn]12[O]3(CCCC3)[Zn](CC)([n]3c(cc(C(C)(C)C)n13)C(C)(C)C)n1c(cc(C(C)(C)C)[n]21)C(C)(C)C.C1CCCO1
• Title of publication: Structural diversity of ethylzinc derivatives of 3,5-substituted pyrazoles.
• Authors of publication: Komorski, Szymon; Leszczyński, Michał K; Justyniak, Iwona; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17388 - 17394
• a: 11.89 ± 0.02 Å
• b: 15.35 ± 0.02 Å
• c: 22.38 ± 0.05 Å
• α: 72.5 ± 0.06°
• β: 88.38 ± 0.08°
• γ: 69.64 ± 0.03°
• Cell volume: 3639 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.3109
• Weighted residual factors for all reflections included in the refinement: 0.3274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No