Information card for entry 2221319

Structure parameters

• Chemical name: Diaquadibromidobis[3-dimethylamino-1-(4-pyridyl-κ<i>N</i>)prop-2-en-1- one]cadmium(II)
• Formula: C20 H28 Br2 Cd N4 O4
• Calculated formula: C20 H28 Br2 Cd N4 O4
• SMILES: c1cc(cc[n]1[Cd]([OH2])(Br)([n]1ccc(cc1)C(=O)/C=C/N(C)C)([OH2])Br)C(=O)/C=C/N(C)C
• Title of publication: Diaquadibromidobis[3-dimethylamino-1-(4-pyridyl-κ<i>N</i>)prop-2-en-1-one]cadmium(II)
• Authors of publication: Dong, Hua-Ze; Chu, Zhao-Lian; Hu, Nai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m358
• a: 21.362 ± 0.003 Å
• b: 8.436 ± 0.0009 Å
• c: 14.6371 ± 0.0016 Å
• α: 90°
• β: 114.456 ± 0.003°
• γ: 90°
• Cell volume: 2401.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes