Information card for entry 7108352

Structure parameters

• Formula: C30 H29 Cl3 N Rh S
• Calculated formula: C30 H29 Cl3 N Rh S
• SMILES: [Rh]123(Cl)(c4[n+](c(sc4c4ccccc4)c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4.C(Cl)Cl
• Title of publication: Abnormal oxazol-4-ylidene and thiazol-4-ylidene rhodium complexes: synthesis, structure, and properties
• Authors of publication: Jun Zhang; Jun Fu; Xiaolong Su; Xinke Qin; Meixin Zhao; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9625
• a: 7.677 ± 0.009 Å
• b: 12.049 ± 0.015 Å
• c: 16.55 ± 0.02 Å
• α: 109.144 ± 0.015°
• β: 96.378 ± 0.014°
• γ: 97.42 ± 0.015°
• Cell volume: 1415 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0501
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No