Information card for entry 1565642

Structure parameters

• Chemical name: (μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato-κ^5^<i>O</i>,<i>S</i>,<i>N</i>^1^,<i>S</i>',<i>O</i>':κ^5^<i>O</i>'',<i>S</i>'',<i>N</i>^4^,<i>S</i>''',<i>O</i>''')bis[aquanickel(II)] heptahydrate
• Formula: C16 H34 N2 Ni2 O17 S4
• Calculated formula: C16 H34 N2 Ni2 O17 S4
• Title of publication: (μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)bis[aquanickel(II)] heptahydrate
• Authors of publication: Pacifico, Jessica; Stoeckli-Evans, Helen
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 12
• Pages of publication: x211295
• a: 8.6799 ± 0.0008 Å
• b: 11.4092 ± 0.001 Å
• c: 14.721 ± 0.0013 Å
• α: 90.308 ± 0.007°
• β: 103.619 ± 0.007°
• γ: 93.801 ± 0.007°
• Cell volume: 1413.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes