Information card for entry 7048652

Structure parameters

• Formula: C48 H46 Cl8 Fe2 N4 P2
• Calculated formula: C48 H46 Cl8 Fe2 N4 P2
• Title of publication: PNN' & P₂NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.
• Authors of publication: Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2150 - 2159
• a: 10.4998 ± 0.0003 Å
• b: 9.7331 ± 0.0003 Å
• c: 24.6015 ± 0.0006 Å
• α: 90°
• β: 96.835 ± 0.002°
• γ: 90°
• Cell volume: 2496.3 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No