Information card for entry 4307970

Structure parameters

• Formula: C68 H64 Cl4 Co2 O8 S8
• Calculated formula: C68 H64 Cl4 Co2 O8 S8
• SMILES: C1(S[Co]234(SC=1c1ccc(OC)cc1)SC(=C([S]2[Co]124(SC(=C(S1)c1ccc(OC)cc1)c1ccc(cc1)OC)SC(=C([S]32)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(cc1)OC.C(CCl)Cl.C(CCl)Cl
• Title of publication: Reversible, Electrochemically Controlled Binding of Phosphine to Iron and Cobalt Bis(dithiolene) Complexes
• Authors of publication: Rongmin Yu; Kuppuswamy Arumugam; Ashok Manepalli; Yvon Tran; Russell Schmehl; Heiko Jacobsen; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5131 - 5133
• a: 9.6052 ± 0.001 Å
• b: 11.7254 ± 0.0012 Å
• c: 15.3302 ± 0.0016 Å
• α: 100.556 ± 0.001°
• β: 90.322 ± 0.001°
• γ: 90.189 ± 0.002°
• Cell volume: 1697.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No