Information card for entry 7032923

Structure parameters

• Formula: C15 H32 Br0.5 Cl1.5 Fe N2 O P2
• Calculated formula: C15 H32 Br0.5 Cl1.5 Fe N2 O P2
• 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: 13.1588 ± 0.0005 Å
• b: 7.68 ± 0.0002 Å
• c: 21.6873 ± 0.0007 Å
• α: 90°
• β: 106.382 ± 0.0017°
• γ: 90°
• Cell volume: 2102.73 ± 0.12 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: 0.0669
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1162
• 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