Information card for entry 2223138

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaqua(4,5-diazafluorene-9-one)cadmium]-μ- benzene-1,3-dicarboxylato] dihydrate]
• Formula: C19 H20 Cd N2 O10
• Calculated formula: C19 H20 Cd N2 O10
• SMILES: [Cd]12([O]=C(O1)c1cccc(c1)C(=O)[O-])([OH2])([OH2])([OH2])[n]1cccc3C(=O)c4ccc[n]2c4c13.O.O
• Title of publication: <i>catena</i>-Poly[[[triaqua(4,5-diazafluorene-9-one)cadmium]-μ-benzene-1,3-dicarboxylato] dihydrate]
• Authors of publication: Li, Xiao-Ping; Fang, Wei; Mei, Ze-Min; Jin, Xiang-Jun; Qi, Wen-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1069 - m1070
• a: 6.9383 ± 0.001 Å
• b: 10.807 ± 0.0016 Å
• c: 14.429 ± 0.002 Å
• α: 96.268 ± 0.002°
• β: 92.602 ± 0.002°
• γ: 102.019 ± 0.002°
• Cell volume: 1049.3 ± 0.3 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: 0.0441
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes