Information card for entry 4345864

Structure parameters

• Formula: C26 H22 Co N8 O4
• Calculated formula: C26 H22 Co N8 O4
• SMILES: [Co]1234([n]5c(CO)cccc5C=[N]1N=C(O2)c1cnccc1)[n]1c(CO)cccc1C=[N]3N=C(O4)c1cccnc1
• Title of publication: Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry.
• Authors of publication: Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Zhang, Yiquan; Bodenstein, Tilmann; Fink, Karin; Powell, Annie K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 6056 - 6066
• a: 20.027 ± 0.003 Å
• b: 14.026 ± 0.0018 Å
• c: 8.9926 ± 0.0016 Å
• α: 90°
• β: 100.235 ± 0.014°
• γ: 90°
• Cell volume: 2485.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No