Information card for entry 7706104

Structure parameters

• Formula: C32 H54 N8 O2 Zn3
• Calculated formula: C32 H54 N8 O2 Zn3
• SMILES: C(C)[Zn]1(n2c(cc(C)[n]2[Zn]2([n]3c(cc(C)n13)C)n1c(cc(C)[n]1[Zn](CC)([n]1c(cc(C)n21)C)[O]1CCCC1)C)C)[O]1CCCC1
• 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: 7.7664 ± 0.0003 Å
• b: 29.8024 ± 0.0012 Å
• c: 16.0219 ± 0.0006 Å
• α: 90°
• β: 102.299 ± 0.004°
• γ: 90°
• Cell volume: 3623.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No