Information card for entry 4303970

Structure parameters

• Common name: Cp*Co(btt)CoCp*
• Formula: C26 H32 Co2 S4
• Calculated formula: C26 H32 Co2 S4
• SMILES: [Co]12345(Sc6c(S1)cc1S[Co]789%10(Sc1c6)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Dinuclear Cp* Cobalt Complexes of the 1,2,4,5-Benzenetetrathiolate Bischelating Ligand
• Authors of publication: Mitsushiro Nomura; Marc Fourmigué
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1301 - 1312
• a: 13.4903 ± 0.0006 Å
• b: 13.3205 ± 0.0007 Å
• c: 15.9026 ± 0.0007 Å
• α: 90°
• β: 112.959 ± 0.002°
• γ: 90°
• Cell volume: 2631.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No