Information card for entry 2218164

Structure parameters

• Chemical name: Tris[N-(2-furoyl)-N,N'-diphenylthioureato-κ^2^O,S]cobalt(III)
• Formula: C54 H39 Co N6 O6 S3
• Calculated formula: C54 H39 Co N6 O6 S3
• SMILES: C1(=NC(N(c2ccccc2)c2ccccc2)=[S][Co]23(O1)(OC(=NC(N(c1ccccc1)c1ccccc1)=[S]2)c1ccco1)OC(=NC(N(c1ccccc1)c1ccccc1)=[S]3)c1ccco1)c1ccco1
• Title of publication: Tris[<i>N</i>-(2-furoyl)-<i>N</i>,<i>N</i>'-diphenylthioureato-κ^2^<i>O</i>,<i>S</i>]cobalt(III)
• Authors of publication: Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; O'Reilly, Beatriz; Duque, Julio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m733 - m734
• a: 10.0236 ± 0.0011 Å
• b: 13.1438 ± 0.0016 Å
• c: 19.388 ± 0.003 Å
• α: 79.357 ± 0.007°
• β: 83.477 ± 0.008°
• γ: 71.152 ± 0.008°
• Cell volume: 2371.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction 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: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes