Information card for entry 4061622

Structure parameters

• Formula: C14 H17 Co S2
• Calculated formula: C14 H17 Co S2
• SMILES: [Co]1234567([cH]8[cH]1[cH]2[cH]3[cH]48)[CH]1=[CH]5[CH]6=[CH]7C1C1SCCCS1
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 17.173 ± 0.002 Å
• b: 8.382 ± 0.001 Å
• c: 18.589 ± 0.003 Å
• α: 90°
• β: 96.82 ± 0.01°
• γ: 90°
• Cell volume: 2656.8 ± 0.6 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0715
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No