Information card for entry 2205847

Structure parameters

• Chemical name: Aquabis(hexamethylenetetramine-κN)bis(2-hydroxy-trans-cinnamato- κ^2^O,O')cadmium trihydrate
• Formula: C30 H46 Cd N8 O10
• Calculated formula: C30 H46 Cd N8 O10.004
• Title of publication: Aquabis(hexamethylenetetramine-κ<i>N</i>)bis(2-hydroxy-<i>trans</i>-cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium trihydrate
• Authors of publication: Cheng, Ya-Qian; Shi, Qian; Dai, Lin-Li; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1240 - m1242
• a: 11.1249 ± 0.0006 Å
• b: 21.926 ± 0.001 Å
• c: 14.6557 ± 0.0007 Å
• α: 90°
• β: 107.096 ± 0.001°
• γ: 90°
• Cell volume: 3416.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes