Information card for entry 2241886

Structure parameters

• Chemical name: Bis(3,4,7,8-tetramethy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(peroxodisulfato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Formula: C32 H32 Cd N4 O8 S2
• Calculated formula: C32 H32 Cd N4 O8 S2
• SMILES: [Cd]123(OS(=O)(=O)OOS(=O)(=O)O1)([n]1cc(c(c4ccc5c(c(c[n]2c5c14)C)C)C)C)[n]1cc(c(c2ccc4c(c(c[n]3c4c12)C)C)C)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: 8.601 ± 0.003 Å
• b: 11.063 ± 0.004 Å
• c: 16.932 ± 0.005 Å
• α: 98.788 ± 0.005°
• β: 97.713 ± 0.005°
• γ: 97.943 ± 0.005°
• Cell volume: 1557 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes