Information card for entry 2237734

Structure parameters

• Chemical name: Diaquabis(2-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)cadmium‒diaquabis(2-hydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nicotinamide-κ<i>N</i>)cadmium‒water (1/2/4)
• Formula: C66 H74 Cd3 N8 O32
• Calculated formula: C66 H74 Cd3 N8 O32
• Title of publication: Diaquabis(2-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)cadmium‒diaquabis(2-hydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nicotinamide-κ<i>N</i>)cadmium‒water (1/2/4)
• Authors of publication: Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m191 - m192
• a: 10.3446 ± 0.0002 Å
• b: 13.5779 ± 0.0003 Å
• c: 14.6586 ± 0.0003 Å
• α: 71.226 ± 0.003°
• β: 71.364 ± 0.003°
• γ: 69.221 ± 0.002°
• Cell volume: 1772.85 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0211
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes