Information card for entry 2219914

Structure parameters

• Chemical name: Di-μ-acetato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
• Formula: C32 H28 Cd2 N4 O8
• Calculated formula: C32 H28 Cd2 N4 O8
• SMILES: c1cc[n]2[Cd]345(OC(=[O]3)C)([n]3cccc6ccc1c2c36)[O](C(C)=[O]5)[Cd]123([n]5cccc6ccc7ccc[n]1c7c56)(OC(=[O]2)C)[O]4C(C)=[O]3
• Title of publication: Di-μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
• Authors of publication: Harvey, Miguel Angel; Baggio, Sergio; Garland, María Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1450
• a: 8.4422 ± 0.0007 Å
• b: 15.6384 ± 0.0013 Å
• c: 22.2195 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2933.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes