Information card for entry 7054746

Structure parameters

• Formula: C20 H46 Co2 K2 N8 O12 S3
• Calculated formula: C20 H46 Co2 K2 N8 O12 S3
• SMILES: [Co]12(N(=O)=C(C(=N1=O)C)C)([N](O)=C(C(=[N]2O)C)C)(CC)SSS[Co]12(N(=O)=C(C(=N1=O)C)C)([N](O)=C(C(=[N]2O)C)C)CC.[K+].[K+].O.O.O.O
• Title of publication: Organometallic sulfur complexes: reactivity studies of hydrogen sulfide anion with cobaloximes
• Authors of publication: Strianese, Maria; Mirra, Silvia; Bertolasi, Valerio; Milione, Stefano; Pellecchia, Claudio
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 4093 - 4099
• a: 10.7251 ± 0.0002 Å
• b: 11.4534 ± 0.0002 Å
• c: 16.074 ± 0.0003 Å
• α: 95.3842 ± 0.0007°
• β: 108.666 ± 0.0007°
• γ: 97.8766 ± 0.0008°
• Cell volume: 1832.96 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No