Information card for entry 2217790

Structure parameters

• Chemical name: Tris(N-benzoyl-N',N'-diphenylthioureato-κ^2^O,S)cobalt(III)
• Formula: C60 H45 Co N6 O3 S3
• Calculated formula: C60 H45 Co N6 O3 S3
• SMILES: C1(=NC(=[S][Co]23(O1)(OC(=NC(N(c1ccccc1)c1ccccc1)=[S]2)c1ccccc1)OC(=NC(N(c1ccccc1)c1ccccc1)=[S]3)c1ccccc1)N(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Tris(<i>N</i>-benzoyl-<i>N</i>',<i>N</i>'-diphenylthioureato-κ^2^<i>O</i>,<i>S</i>)cobalt(III)
• Authors of publication: Pérez, Hiram; Mascarenhas, Yvonne; Plutín, Ana María; Souza Corrêa, Rodrigo de; Duque, Julio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m503
• a: 10.46 ± 0.001 Å
• b: 13.591 ± 0.005 Å
• c: 20.515 ± 0.005 Å
• α: 93.371 ± 0.002°
• β: 97.652 ± 0.005°
• γ: 112.212 ± 0.005°
• Cell volume: 2657 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes