Information card for entry 2241885

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>')zinc(II)
• Formula: C32 H32 N4 O8 S2 Zn
• Calculated formula: C32 H32 N4 O8 S2 Zn
• SMILES: c1c(c(c2c3[n]1[Zn]14([n]5cc(c(c6ccc7c(c(c[n]1c7c56)C)C)C)C)([n]1cc(c(c(cc2)c31)C)C)OS(=O)(=O)OOS(=O)(=O)O4)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: 15.6244 ± 0.0002 Å
• b: 10.8803 ± 0.0002 Å
• c: 17.9446 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3050.55 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes