Information card for entry 4309317

Structure parameters

• Formula: C59 H79 I2 N3 O Yb2
• Calculated formula: C59 H79 I2 N3 O Yb2
• SMILES: [Yb]12345678(I)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)(I)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[n]12[Yb]3456789%10%11([n]%12c(c2cccc1)cccc%12c1cccc[n]31)([c]1([c]%11([c]6([c]5([c]41C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C.O1CCCC1
• Title of publication: Ligand Substituent Effect Observed for Ytterbocene 4'-Cyano-2,2':6',2''-terpyridine
• Authors of publication: Jacqueline M. Veauthier; Eric J. Schelter; Christopher J. Kuehl; Aurora E. Clark; Brian L. Scott; David E. Morris; Richard L. Martin; J. D. Thompson; Jaqueline L. Kiplinger; Kevin D. John
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5911 - 5920
• a: 15.9987 ± 0.0015 Å
• b: 16.1466 ± 0.0015 Å
• c: 21.478 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5548.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No