Information card for entry 7014651

Structure parameters

• Formula: C10 H11 Co O2 S2
• Calculated formula: C10 H11 Co O2 S2
• SMILES: [Co]12345(SC(=CS1)C(=O)OCC)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.
• Authors of publication: Nomura, Mitsushiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2112 - 2140
• a: 8.2278 ± 0.0011 Å
• b: 16.183 ± 0.002 Å
• c: 9.3757 ± 0.0015 Å
• α: 90°
• β: 112.322 ± 0.002°
• γ: 90°
• Cell volume: 1154.8 ± 0.3 ų
• Cell temperature: 298.1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No