Information card for entry 4343429

Structure parameters

• Formula: C20 H28 N4 Ni2 O18 P4
• Calculated formula: C20 H28 N4 Ni2 O18 P4
• SMILES: c1cccc2c3[n](cccc3)[Ni]34([n]12)([O]=P(OP(=O)(O3)O)(O)O[Ni]12([n]3ccccc3c3cccc[n]13)([O]=P(O)(O4)OP(=O)(O2)O)[OH2])[OH2].O.O
• Title of publication: Ferromagnetic Coupling in "Double-Bridged" Dihydrogenpyrophosphate Complexes of Cobalt(II) and Nickel(II).
• Authors of publication: Greenfield, Tiffany J.; Hoffman, Amanda E.; Marino, Nadia; Goos, Alan G.; Lloret, Francesc; Julve, Miguel; Doyle, Robert P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6537 - 6546
• a: 8.0187 ± 0.0015 Å
• b: 9.4817 ± 0.0018 Å
• c: 10.757 ± 0.002 Å
• α: 83.11 ± 0.004°
• β: 79.799 ± 0.004°
• γ: 67.755 ± 0.004°
• Cell volume: 743.8 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No