Information card for entry 4347387

Structure parameters

• Formula: C80 H58 B4 Co4 F16 N34
• Calculated formula: C80 H58 B4 Co4 F16 N34
• SMILES: [Co]12345n6[n]7[Co]89%10([n]%11c(c7cc6c6[n]1c(n1[n]2ccc1)ccc6)cccc%11n1[n]8ccc1)n1[n]2[Co]678([n]%11c(c2cc1c1[n]9c(n2[n]%10ccc2)ccc1)cccc%11n1[n]6ccc1)n1[n]2[Co]69%10([n]%11c(c2cc1c1[n]7c(n2[n]8ccc2)ccc1)cccc%11n1[n]6ccc1)n1[n]3c(cc1c1[n]9c(n2[n]%10ccc2)ccc1)c1[n]4c(n2[n]5ccc2)ccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.
• Authors of publication: Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4362 - 4372
• a: 14.034 ± 0.0003 Å
• b: 13.3498 ± 0.0002 Å
• c: 50.7076 ± 0.0009 Å
• α: 90°
• β: 94.657 ± 0.001°
• γ: 90°
• Cell volume: 9468.8 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No