Information card for entry 2014164

Structure parameters

• Chemical name: bis(2,2':6',2''-terpyridine-κ^3^N)zinc(II) hexaoxo-μ-peroxo-disulfate(VI) dihydrate N,N-dimethylformamide solvate
• Formula: C33 H33 N7 O11 S2 Zn
• Calculated formula: C33 H33 N7 O11 S2 Zn
• SMILES: [O-]S(=O)(=O)OOS(=O)(=O)[O-].O.c1cccc2c3cccc4[n]3[Zn]35([n]12)([n]1ccccc1c1cccc([n]31)c1[n]5cccc1)[n]1c4cccc1.C(=O)N(C)C.O
• Title of publication: Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion
• Authors of publication: Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m375 - m381
• a: 8.7932 ± 0.0018 Å
• b: 9.4508 ± 0.0019 Å
• c: 22.629 ± 0.005 Å
• α: 89.95 ± 0.03°
• β: 82.97 ± 0.03°
• γ: 82.84 ± 0.03°
• Cell volume: 1851.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1816
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes