Information card for entry 7025591

Structure parameters

• Formula: C43 H59 Fe Lu N2 O2
• Calculated formula: C43 H59 Fe Lu N2 O2
• SMILES: [Lu]12(N([c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[c]3([cH]8[cH]9[cH]%10[cH]%113)N1C1C3CC4CC1CC(C4)C3)C1C3CC4CC1CC(C4)C3)([O](C)CC[O]2C)Cc1cc(cc(c1)C)C
• Title of publication: Reactions of aromatic N-heterocycles with a lutetium benzyl complex supported by a ferrocene-diamide ligand.
• Authors of publication: Wong, Allison W.; Miller, Kevin L.; Diaconescu, Paula L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6726 - 6731
• a: 20.58 ± 0.002 Å
• b: 16.204 ± 0.002 Å
• c: 23.747 ± 0.003 Å
• α: 90°
• β: 108.573 ± 0.002°
• γ: 90°
• Cell volume: 7506.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No