Information card for entry 2208051

Structure parameters

• Chemical name: catena-Poly[[aqua(pyridine N-oxide-κO)cadmium(II)]-di-μ-chloro]
• Formula: C5 H7 Cd Cl2 N O2
• Calculated formula: C5 H7 Cd Cl2 N O2
• SMILES: [Cd]1(Cl)(Cl)([O]=n2ccccc2)([OH2])[Cl][Cd]([Cl]1)([O]=n1ccccc1)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(pyridine <i>N</i>-oxide-κ<i>O</i>)cadmium(II)]-di-μ-chloro]
• Authors of publication: Englert, Ulli; Schiffers, Stefanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m295 - m296
• a: 6.3241 ± 0.0009 Å
• b: 7.415 ± 0.004 Å
• c: 19.243 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 902.4 ± 0.6 ų
• Cell temperature: 268 ± 2 K
• Ambient diffraction temperature: 268 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes