Information card for entry 7046691

Structure parameters

• Formula: C46 H32 Co N2 O2
• Calculated formula: C46 H32 Co N2 O2
• Title of publication: Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N₂O₂] coordination environment.
• Authors of publication: Böhme, Michael; Ziegenbalg, Sven; Aliabadi, Azar; Schnegg, Alexander; Görls, Helmar; Plass, Winfried
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 10861 - 10873
• a: 25.3489 ± 0.0007 Å
• b: 8.8126 ± 0.0002 Å
• c: 16.0215 ± 0.0003 Å
• α: 90°
• β: 106.217 ± 0.001°
• γ: 90°
• Cell volume: 3436.63 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No