Information card for entry 7022445

Structure parameters

• Formula: C82 H75 O12 P4 Rh3 S2
• Calculated formula: C82 H75 O12 P4 Rh3 S2
• SMILES: [Rh]12345([S]6[Rh]([S]1[Rh]6([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[c]1([c]4([c]5([c]2([c]31C)C)C)C)C
• Title of publication: Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).
• Authors of publication: Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3471 - 3481
• a: 18.57 ± 0.002 Å
• b: 19.659 ± 0.002 Å
• c: 21.045 ± 0.002 Å
• α: 90°
• β: 106.824 ± 0.002°
• γ: 90°
• Cell volume: 7354 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No