Information card for entry 4345865

Structure parameters

• Formula: C29 H26 Cl2 Co N6 O6
• Calculated formula: C29 H26 Cl2 Co N6 O6
• 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: 11.7543 ± 0.0012 Å
• b: 12.8415 ± 0.0009 Å
• c: 19.736 ± 0.002 Å
• α: 90°
• β: 91.266 ± 0.012°
• γ: 90°
• Cell volume: 2978.3 ± 0.5 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No