Information card for entry 7115474

Structure parameters

• Formula: C70 H66 Fe P4
• Calculated formula: C70 H66 Fe P4
• Title of publication: Modular functionalized polyphosphines for supported materials: previously unobserved 31P-NMR 'through-space' ABCD spin systems and heterogeneous palladium-catalysed C-C and C-H arylation
• Authors of publication: Matthieu Beauperin; Radomyr Smaliy; Helene Cattey; Philippe Meunier; Jun Ou; Patrick H. Toy; Jean-Cyrille Hierso
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9505
• a: 12.146 ± 0.0001 Å
• b: 26.8418 ± 0.0003 Å
• c: 19.2035 ± 0.0002 Å
• α: 90°
• β: 106.827 ± 0.001°
• γ: 90°
• Cell volume: 5992.67 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No