Information card for entry 7002156

Structure parameters

• Formula: C36 H44 N8 O4 Zn2
• Calculated formula: C36 H44 N8 O4 Zn2
• SMILES: C(=O)(c1ccccc1C)O[Zn]1([n]2n(c(C)cc2C)[Zn]([n]2[nH]c(cc2C)C)([n]2n1c(C)cc2C)OC(=O)c1ccccc1C)[n]1[nH]c(cc1C)C
• 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: 11.0113 ± 0.0008 Å
• b: 15.6072 ± 0.001 Å
• c: 11.2144 ± 0.0008 Å
• α: 90°
• β: 95.273 ± 0.005°
• γ: 90°
• Cell volume: 1919.1 ± 0.2 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: 0.119
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No