Information card for entry 2205265

Structure parameters

• Chemical name: Catena-poly [aqua dicinnamate cadmium-u-1,4-diazabicyclo[2.2.2]octane]
• Formula: C24 H28 Cd N2 O5
• Calculated formula: C24 H28 Cd N2 O5
• Title of publication: <i>catena</i>-Poly[[aquadicinnamatocadmium]-μ-1,4-diazabicyclo[2.2.2]octane]
• Authors of publication: Qu, Yang; Liu, Zhao-Di; Zhu, Hai-Liang; Tan, Min-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m420 - m422
• a: 6.143 ± 0.001 Å
• b: 25.34 ± 0.005 Å
• c: 7.483 ± 0.001 Å
• α: 90°
• β: 97.58 ± 0.03°
• γ: 90°
• Cell volume: 1154.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes