Information card for entry 1502624

Structure parameters

• Formula: C48 H49 Fe Lu N2 O
• Calculated formula: C48.5 H49 Fe Lu N2 O
• Title of publication: Reactions of aromatic N-heterocycles with d0fn-metal alkyl complexes supported by chelating diamide ligands.
• Authors of publication: Diaconescu, Paula L.
• Journal of publication: Accounts of chemical research
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 1352 - 1363
• a: 20.6899 ± 0.0018 Å
• b: 23.815 ± 0.002 Å
• c: 16.4542 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8107.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No