Information card for entry 2231570

Structure parameters

• Chemical name: <i>cyclo</i>-Tetrakis(μ-3-acetyl-4-methyl-1<i>H</i>-pyrazole-5-carboxylato- κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^5^)tetrakis[aquacopper(II)] tetradecahydrate
• Formula: C28 H60 Cu4 N8 O30
• Calculated formula: C28 H60 Cu4 N8 O30
• Title of publication: <i>cyclo</i>-Tetrakis(μ-3-acetyl-4-methyl-1<i>H</i>-pyrazole-5-carboxylato-κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^5^)tetrakis[aquacopper(II)] tetradecahydrate
• Authors of publication: Malinkin, Sergey; Golenya, Irina A.; Pavlenko, Vadim A.; Haukka, Matti; Iskenderov, Turganbay S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1260 - m1261
• a: 13.8502 ± 0.0007 Å
• b: 13.8502 ± 0.0007 Å
• c: 26.28 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5041.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes