Information card for entry 4309316

Structure parameters

• Formula: C37 H42 Cl2 I N4 Yb
• Calculated formula: C37 H42 Cl2 I N4 Yb
• SMILES: [Yb]12345678(I)([N]#Cc9cc(nc(c9)c9ncccc9)c9ncccc9)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.C(Cl)Cl
• 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: 8.5216 ± 0.0016 Å
• b: 10.743 ± 0.002 Å
• c: 21.294 ± 0.004 Å
• α: 80.713 ± 0.003°
• β: 79.361 ± 0.003°
• γ: 75.47 ± 0.003°
• Cell volume: 1841 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.2376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No