Information card for entry 4303971

Structure parameters

• Common name: Cp*Co(P(OMe)3)(btt)CoCp*
• Formula: C29 H41 Co2 O3 P S4
• Calculated formula: C29 H41 Co2 O3 P S4
• SMILES: [Co]12345(Sc6c(S1)cc1S[Co]789%10(Sc1c6)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)([P](OC)(OC)OC)[c]1([c]2([c]3([c]4([c]51C)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: 11.5602 ± 0.0001 Å
• b: 15.0512 ± 0.0002 Å
• c: 18.6825 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250.66 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No