Information card for entry 2241884

Structure parameters

• Chemical name: Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(peroxodisulfato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Formula: C28 H24 Cd N4 O8 S2
• Calculated formula: C28 H24 Cd N4 O8 S2
• SMILES: c1([n]2[Cd]34([n]5c(ccc6ccc(c2c56)cc1)C)([n]1c(ccc2ccc5ccc([n]3c5c12)C)C)OS(=O)(=O)OOS(=O)(=O)O4)C
• Title of publication: Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations
• Authors of publication: Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1581 - 1586
• a: 22.233 ± 0.012 Å
• b: 9.566 ± 0.005 Å
• c: 16.017 ± 0.008 Å
• α: 90°
• β: 123.78 ± 0.03°
• γ: 90°
• Cell volume: 2831 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes