Information card for entry 4337701

Structure parameters

• Formula: C48 H56 Co4 N8 O12
• Calculated formula: C48 H56 Co4 N8 O12
• SMILES: [Co]1234([n]5n(ccc5c5ccccc5O1)CC[O]12[Co]256([n]7n(ccc7c7ccccc7O2)CC[O]25[Co]57([n]8n(ccc8c8ccccc8O5)CC[O]367)([OH]C)[O]34[Co]412([n]1n(ccc1c1ccccc1O4)CC3)[OH]C)[OH]C)[OH]C
• Title of publication: Inducing Single Molecule Magnetic Behavior in a [Co4O4] Cubane via a Pronounced Solvatomagnetic Effect.
• Authors of publication: Klinke, Felix J.; Das, Animesh; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2976 - 2982
• a: 17.5372 ± 0.0007 Å
• b: 34.0208 ± 0.001 Å
• c: 16.9603 ± 0.0007 Å
• α: 90°
• β: 92.167 ± 0.003°
• γ: 90°
• Cell volume: 10111.8 ± 0.7 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.113
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No