Information card for entry 1556590

Structure parameters

• Formula: C29 H44 Cl F6 Ir N3 O1.5 P
• Calculated formula: C29 H44 Cl F6 Ir N3 O1.5 P
• Title of publication: Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature
• Authors of publication: Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 27
• a: 11.9277 ± 0.0007 Å
• b: 19.21 ± 0.0011 Å
• c: 28.2172 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6465.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No