Information card for entry 4341097

Structure parameters

• Chemical name: Cobalt(C3S5)2
• Formula: C56 H43 Co N P2 S10
• Calculated formula: C56 H43 Co N P2 S10
• SMILES: [Co]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N
• Title of publication: A mononuclear transition metal single-molecule magnet in a nuclear spin-free ligand environment.
• Authors of publication: Fataftah, Majed S.; Zadrozny, Joseph M.; Rogers, Dylan M.; Freedman, Danna E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10716 - 10721
• a: 9.5256 ± 0.0005 Å
• b: 16.9629 ± 0.0009 Å
• c: 19.215 ± 0.001 Å
• α: 64.432 ± 0.003°
• β: 78.376 ± 0.003°
• γ: 78.05 ± 0.003°
• Cell volume: 2717.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.74 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No