Information card for entry 2006447

Structure parameters

• Common name: CpCo(dmit)
• Chemical name: (4,5-disulfanyl-1,3-dithiole-2-thionato)(η-cyclopentadienyl)cobalt(III)
• Formula: C8 H5 Co S5
• Calculated formula: C8 H5 Co S5
• SMILES: [Co]1([cH]23)([cH]24)([cH]32)([cH]23)([cH]34)SC(=C2S1)SC(=S)S2
• Title of publication: Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes
• Authors of publication: Fourmigué, Marc; Perrocheau, Vincent
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1213 - 1215
• a: 5.9564 ± 0.0008 Å
• b: 7.883 ± 0.0003 Å
• c: 23.293 ± 0.0003 Å
• α: 90°
• β: 97.18 ± 0.01°
• γ: 90°
• Cell volume: 1085.13 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.0733
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No