Information card for entry 7000710

Structure parameters

• Formula: C42 H59 Rh3 S6
• Calculated formula: C42 H59 Rh3 S6
• SMILES: [Rh]12345(Sc6c7S[Rh]89%10%11(Sc7c7S[Rh]%12%13%14%15(Sc7c6S1)[c]1([c]%15([c]%14([c]%12([c]%131C)C)C)C)C)[c]1([c]9([c]8([c]%11([c]%101C)C)C)C)C)[c]1([c]4([c]5([c]2([c]31C)C)C)C)C.C(CCC)CC
• Title of publication: Development of a versatile synthesis method for trinuclear Co(iii), Rh(iii), and Ir(iii) dithiolene complexes, and their crystal structures and multi-step redox properties
• Authors of publication: Shibata, Yusuke; Zhu, Baohua; Kume, Shoko; Nishihara, Hiroshi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1939 - 1943
• a: 12.513 ± 0.017 Å
• b: 14.546 ± 0.017 Å
• c: 12.896 ± 0.018 Å
• α: 90°
• β: 104.337 ± 0.006°
• γ: 90°
• Cell volume: 2274 ± 5 ų
• Cell temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No