Information card for entry 2237116

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) hexaoxido-μ-peroxido-disulfate(VI) <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate
• Formula: C42 H40 N8 Ni O11 S2
• Calculated formula: C42 H40 N8 Ni O10.999 S2
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) hexaoxido-μ-peroxido-disulfate(VI) <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate
• Authors of publication: Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m63 - m64
• a: 10.4832 ± 0.0003 Å
• b: 12.2221 ± 0.0004 Å
• c: 18.0044 ± 0.0006 Å
• α: 79.691 ± 0.003°
• β: 76.725 ± 0.003°
• γ: 76.19 ± 0.003°
• Cell volume: 2161.41 ± 0.12 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: 0.0941
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes