Information card for entry 7104785

Structure parameters

• Common name: ytterbocene terpyridine
• Chemical name: bis-pentamethylcyclopentadienyl ytterbium terpyridine
• Formula: C35 H41 N3 Yb
• Calculated formula: C35 H41 N3 Yb
• SMILES: [c]12([c]3([c]4([c]5([c]1([Yb]16789%102345([n]2ccccc2c2[n]1c(c1[n]%10cccc1)ccc2)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C)C)C)C)C
• Title of publication: Toward new paradigms in mixed-valency: ytterbocene‒terpyridine charge-transfer complexes
• Authors of publication: Kuehl, Christopher J.; Da Re, Ryan E.; Scott, Brian L.; Morris, David E.; John, Kevin D.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2336 - 2337
• a: 14.214 ± 0.009 Å
• b: 14.214 ± 0.009 Å
• c: 14.682 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2966 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No