Information card for entry 7002149

Structure parameters

• Formula: C34 H40 N8 O4 Zn2
• Calculated formula: C34 H40 N8 O4 Zn2
• SMILES: C(=O)(c1ccccc1)O[Zn]1([n]2[nH]c(C)cc2C)n2[n](c(cc2C)C)[Zn]([n]2[nH]c(C)cc2C)(n2[n]1c(cc2C)C)OC(=O)c1ccccc1
• Title of publication: Solvent induced reactivity of 3,5-dimethylpyrazole towards zinc (II) carboxylates
• Authors of publication: Sarma, Rupam; Kalita, Dipjyoti; Baruah, Jubaraj B.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7428 - 7436
• a: 8.2047 ± 0.0011 Å
• b: 16.175 ± 0.002 Å
• c: 14.222 ± 0.002 Å
• α: 90°
• β: 105.266 ± 0.007°
• γ: 90°
• Cell volume: 1820.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No