Information card for entry 4507458

Structure parameters

• Formula: C22 H18 Cd N2 O15
• Calculated formula: C22 H18 Cd N2 O15
• SMILES: [Cd]1234([O](c5cccc(OCC(=O)O)c5[O]2CC(=O)O3)CC(=O)O1)([OH2])[n]1ccccc1c1[n]4cccc1.O.O.O.O.O
• Title of publication: Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties
• Authors of publication: Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1059
• a: 8.1 ± 0.0007 Å
• b: 11.11 ± 0.0009 Å
• c: 15.9077 ± 0.001 Å
• α: 106.128 ± 0.006°
• β: 96.718 ± 0.006°
• γ: 96.03 ± 0.007°
• Cell volume: 1351.5 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No