Information card for entry 7035223

Structure parameters

• Formula: C18 H16 N8 Ni O6
• Calculated formula: C18 H16 N8 Ni O6
• SMILES: c12c3[n](cccn3)[Ni]34(OC(=O)C(=O)O4)([n]2cccn1)[n]1cccnc1c1[n]3cccn1.O.O
• Title of publication: Towards a better understanding of honeycomb alternating magnetic networks.
• Authors of publication: Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Cano, Joan; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11040 - 11051
• a: 19.038 ± 0.002 Å
• b: 8.8357 ± 0.0008 Å
• c: 15.2941 ± 0.0014 Å
• α: 90°
• β: 128.246 ± 0.006°
• γ: 90°
• Cell volume: 2020.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No