Information card for entry 4335622

Structure parameters

• Formula: C113 H106 Cl Fe2 O P6 Rh
• Calculated formula: C113 H106 Cl Fe2 O P6 Rh
• Title of publication: Triarylphosphine Ligands with Pendant Electron-Rich "[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-" Substituents
• Authors of publication: Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8993 - 9004
• a: 11.4178 ± 0.0002 Å
• b: 28.7416 ± 0.0007 Å
• c: 30.8356 ± 0.0007 Å
• α: 90°
• β: 99.052 ± 0.001°
• γ: 90°
• Cell volume: 9993.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.114
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No