Information card for entry 2224085

Structure parameters

• Chemical name: Aquabis(4-formylbenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)bis(isonicotinamide- κ<i>N</i>^1^)cadmium(II) monohydrate
• Formula: C28 H26 Cd N4 O10
• Calculated formula: C28 H26 Cd N4 O10
• Title of publication: Aquabis(4-formylbenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)bis(isonicotinamide-κ<i>N</i>^1^)cadmium(II) monohydrate
• Authors of publication: Hökelek, Tuncer; Yılmaz, Filiz; Tercan, Barış; Gürgen, Ferdi; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1416 - m1417
• a: 9.3357 ± 0.0003 Å
• b: 19.0501 ± 0.0006 Å
• c: 16.3743 ± 0.0005 Å
• α: 90°
• β: 93.203 ± 0.001°
• γ: 90°
• Cell volume: 2907.55 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes