Information card for entry 2215196

Structure parameters

• Chemical name: catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ- o-phenylenediacetato-κ^2^O,O':κO''-[bis(1,10-phenanthroline- κ^2^N,N')cadmium(II)]-μ-o-phenylenediacetato-κO:κ^2^O',O''] ethanol 0.79-solvate 3.05-hydrate]
• Formula: C57.58 H52.85 Cd2 N6 O12.85
• Calculated formula: C57.584 H50.752 Cd2 N6 O12.846
• Title of publication: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-<i>o</i>-phenylenediacetato-κ^2^<i>O</i>,<i>O</i>':κ<i>O</i>''-[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-<i>o</i>-phenylenediacetato-κ<i>O</i>:κ^2^<i>O</i>',<i>O</i>''] ethanol 0.79-solvate 3.05-hydrate]
• Authors of publication: Yang, Yan; Zeng, Ming-Hua; Zhang, Shu-Hua; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2392 - m2392
• a: 12.6568 ± 0.0002 Å
• b: 14.7729 ± 0.0003 Å
• c: 15.0674 ± 0.0003 Å
• α: 68.71 ± 0.001°
• β: 83.896 ± 0.001°
• γ: 78.303 ± 0.001°
• Cell volume: 2568.84 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes