Information card for entry 7108351

Structure parameters

• Formula: C29 H27 Cl N O Rh
• Calculated formula: C29 H27 Cl N O Rh
• SMILES: [Rh]123(Cl)(c4[n+](c(oc4c4ccccc4)c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 11.671 ± 0.007 Å
• b: 19.299 ± 0.012 Å
• c: 21.86 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4924 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No