Information card for entry 7002148

Structure parameters

• Formula: C24 H26 N4 O4 Zn
• Calculated formula: C24 H26 N4 O4 Zn
• SMILES: [Zn](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)([n]1[nH]c(cc1C)C)[n]1[nH]c(C)cc1C
• 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: 8.746 ± 0.0003 Å
• b: 12.0489 ± 0.0004 Å
• c: 13.0519 ± 0.0004 Å
• α: 96.598 ± 0.002°
• β: 103.186 ± 0.002°
• γ: 108.004 ± 0.002°
• Cell volume: 1247.78 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No