Information card for entry 7054250

Structure parameters

• Formula: C24 H80 Co2 N16 O22 S3
• Calculated formula: C24 H80 Co2 N16 O22 S3
• SMILES: C1C[NH]2CN3C[NH]4CC[NH]5CN6C[NH]1[Co]1245[NH](CC[NH]1C6)C3.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O.O.O.O.O.C1C[NH]2CN3C[NH]4CC[NH]5CN6C[NH]1[Co]1245[NH](CC[NH]1C6)C3.O=S(=O)([O-])[O-].O.O.O.O.O
• Title of publication: Cobalt(iii) sepulchrate complexes: application as sustainable oxidative catalysts
• Authors of publication: Ribeiro, Susana; Cunha-Silva, Luís; Balula, Salete S.; Gago, Sandra
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 6
• Pages of publication: 2500
• a: 13.7348 ± 0.001 Å
• b: 11.2507 ± 0.0007 Å
• c: 34.837 ± 0.003 Å
• α: 90°
• β: 91.443 ± 0.004°
• γ: 90°
• Cell volume: 5381.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No