Information card for entry 8102037

Structure parameters

• Chemical name: aquabis(acrylato-O,O')(1,10-phenanthroline-N,N')cadmium(II)
• Formula: C18 H15 Cd N2 O5
• Calculated formula: C18 H15 Cd N2 O5
• SMILES: [Cd]123(OC(=[O]1)C=C)(OC(C=C)=[O]2)([OH2])[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: Crystal structure of aquabis(acrylato-O,O')(1,10-phenanthroline-N, N')cadmium(II), Cd(H~2~O)(C~3~H~3~O~2~)~2~(C~12~H~10~N~2~)
• Authors of publication: Cai, T.-J.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Deng, Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 421 - 422
• a: 9.9973 ± 0.0005 Å
• b: 9.0433 ± 0.0004 Å
• c: 19.4849 ± 0.0008 Å
• α: 90°
• β: 101.235 ± 0.002°
• γ: 90°
• Cell volume: 1727.84 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No