Information card for entry 4310130

Structure parameters

• Chemical name: ((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))(pentafluorophenyl)europium(II)
• Formula: C51 H52 Eu F5 N3
• Calculated formula: C51 H52 Eu F5 N3
• SMILES: [Eu]1([N](=NN1c1c(cccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Stabilization of Unsolvated Europium and Ytterbium Pentafluorophenyls by π-Bonding Encapsulation through a Sterically Crowded Triazenido Ligand
• Authors of publication: Sven-Oliver Hauber; Mark Niemeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8644 - 8646
• a: 9.043 ± 0.002 Å
• b: 11.166 ± 0.003 Å
• c: 23.368 ± 0.004 Å
• α: 96.206 ± 0.016°
• β: 93.326 ± 0.017°
• γ: 106.806 ± 0.019°
• Cell volume: 2235.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No