Information card for entry 2006352

Structure parameters

• Formula: C34 H40 Cu N6 O12
• Calculated formula: C34 H40 Cu N6 O12
• Title of publication: <i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)copper(II)
• Authors of publication: Hökelek, Tuncer; Budak, Kıvanç; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1049 - 1051
• a: 7.4083 ± 0.0001 Å
• b: 8.5172 ± 0.0001 Å
• c: 14.9425 ± 0.0001 Å
• α: 87.42 ± 0.01°
• β: 78.71 ± 0.01°
• γ: 77.57 ± 0.01°
• Cell volume: 902.92 ± 0.05 ų
• Cell temperature: 298 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 significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0479
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No