Information card for entry 4072812

Structure parameters

• Chemical name: 1,1'-Bis(N-phenylamino)-ferrocen
• Formula: C22 H20 Fe N2
• Calculated formula: C22 H20 Fe N2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)Nc1ccccc1)[c]1([cH]5[cH]6[cH]7[cH]81)Nc1ccccc1
• Title of publication: Zirconium Chelates of a Bulky Ferrocene-Based Diamido Ligand
• Authors of publication: Siemeling, Ulrich; Auch, Tanja-Corinna; Tomm, Sabine; Fink, Heinrich; Bruhn, Clemens; Neumann, Beate; Stammler, Hans-Georg
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 1112
• a: 7.3096 ± 0.0003 Å
• b: 23.3352 ± 0.0012 Å
• c: 19.5945 ± 0.0008 Å
• α: 90°
• β: 90.374 ± 0.003°
• γ: 90°
• Cell volume: 3342.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No