Information card for entry 7032924

Structure parameters

• Formula: C25 H44 F6 Fe N2 O P3 Ru
• Calculated formula: C25 H44 F6 Fe N2 O P3 Ru
• Title of publication: Exploring the decomposition pathways of iron asymmetric transfer hydrogenation catalysts.
• Authors of publication: Lagaditis, Paraskevi O.; Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12119 - 12127
• a: 8.4983 ± 0.0002 Å
• b: 21.6914 ± 0.0008 Å
• c: 17.3708 ± 0.0006 Å
• α: 90°
• β: 93.653 ± 0.001°
• γ: 90°
• Cell volume: 3195.63 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No