Information card for entry 7014645

Structure parameters

• Formula: C16 H21 Co O4 S2
• Calculated formula: C16 H21 Co O4 S2
• SMILES: [Co]12345(SC(=C(S1)C(=O)OC)C(=O)OC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 11.162 ± 0.005 Å
• b: 10.267 ± 0.004 Å
• c: 16.098 ± 0.007 Å
• α: 90°
• β: 95.1531 ± 0.0018°
• γ: 90°
• Cell volume: 1837.4 ± 1.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No