Information card for entry 4310131

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)ytterbium(II)
• Formula: C51 H52 F5 N3 Yb
• Calculated formula: C51 H52 F5 N3 Yb
• SMILES: [Yb]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: 9.077 ± 0.0018 Å
• b: 11.114 ± 0.002 Å
• c: 23.416 ± 0.005 Å
• α: 96.91 ± 0.03°
• β: 93.71 ± 0.03°
• γ: 106.93 ± 0.03°
• Cell volume: 2231 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No