Information card for entry 2217386

Structure parameters

• Chemical name: Poly[[aqua(1-naphthylacetato)cadmium(II)]-μ~3~-pyridin-3-olato]
• Formula: C17 H15 Cd N O4
• Calculated formula: C17 H15 Cd N O4
• SMILES: [Cd]123([OH2])([O]=C(Cc4cccc5ccccc45)O1)[O](c1ccc[n](c1)[Cd]14([O]=C(Cc5cccc6ccccc56)O1)([O](c1ccc[n]3c1)[Cd]1([O]=C(Cc3cccc5ccccc35)O1)([O]4c1cccnc1)[OH2])[OH2])[Cd]1([O]=C(Cc3cccc4ccccc34)O1)([O]2c1cccnc1)[OH2]
• Title of publication: Poly[[aqua(1-naphthylacetato)cadmium(II)]-μ~3~-pyridin-3-olato]
• Authors of publication: Chun-Yan Ma; Wen-Dong Song; Dan-Li Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m31 - m31
• a: 14.978 ± 0.002 Å
• b: 6.7324 ± 0.0001 Å
• c: 15.729 ± 0.002 Å
• α: 90°
• β: 95.928 ± 0.001°
• γ: 90°
• Cell volume: 1577.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes