Information card for entry 4106906

Structure parameters

• Formula: C36 H45 Cl2 Co N5 S2
• Calculated formula: C36 H45 Cl2 Co N5 S2
• Title of publication: Single-Molecule Magnet Behavior with a Single Metal Center Enhanced through Peripheral Ligand Modifications
• Authors of publication: Titel Jurca; Ahmed Farghal; Po-Heng Lin; Ilia Korobkov; Muralee Murugesu; Darrin S. Richeson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15814 - 15817
• a: 21.258 ± 0.005 Å
• b: 9.278 ± 0.002 Å
• c: 19.752 ± 0.005 Å
• α: 90°
• β: 92.684 ± 0.009°
• γ: 90°
• Cell volume: 3891.4 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No