Information card for entry 2009143

Structure parameters

• Chemical name: Diacetato-bis(3-amino-5-phenylpyrazole)zinc(II)
• Formula: C24 H32 N6 O6 Zn
• Calculated formula: C24 H32 N6 O6 Zn
• SMILES: [Zn](OC(=O)C)(OC(=O)C)(n1[nH]c(cc1N)c1ccccc1)n1[nH]c(cc1N)c1ccccc1.CO.CO
• Title of publication: Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH~3~COO)~2~<i>L</i>~2~]^.^2MeOH (<i>L</i> = 3-amino-5-phenylpyrazole)
• Authors of publication: Jaćimović, Zeljko K.; Tomić, Zoran D.; Bogdanović, Goran A.; Ivegeš, Erika Z.; Leovac, Vukadin M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1769 - 1771
• a: 9.377 ± 0.002 Å
• b: 9.94 ± 0.001 Å
• c: 15.344 ± 0.002 Å
• α: 93.06 ± 0.02°
• β: 98.17 ± 0.03°
• γ: 98.23 ± 0.02°
• Cell volume: 1397.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No