Information card for entry 4327316

Structure parameters

• Formula: C90 H74 Cl19 P6 Rh S4
• Calculated formula: C87 H71 Cl10 P6 Rh S4
• SMILES: [Rh]1234(SP(=C5[P]3(C(P(=[S]1)(c1ccccc1)c1ccccc1)=C(C=C5c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)SP(=C1[P]4(C(P(=[S]2)(c2ccccc2)c2ccccc2)=C(C=C1c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis and X-ray Crystal Structure of a Cationic Homoleptic (SPS)2Rh(III) Complex and EPR Study of Its Reduction Process
• Authors of publication: Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Prashant Adkine; Théo Berclaz; Michel Geoffroy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1147 - 1152
• a: 16.812 ± 0.001 Å
• b: 17.628 ± 0.001 Å
• c: 20.168 ± 0.001 Å
• α: 106.398 ± 0.001°
• β: 93.68 ± 0.001°
• γ: 117.576 ± 0.001°
• Cell volume: 4947.3 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0666
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No