Information card for entry 4309318

Structure parameters

• Formula: C46.5 H58 Cl3 F6 N3 P Yb
• Calculated formula: C46.5 H57 Cl3 F6 N3 P Yb
• 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: 15.88 ± 0.003 Å
• b: 18.367 ± 0.004 Å
• c: 18.158 ± 0.003 Å
• α: 90°
• β: 112.589 ± 0.004°
• γ: 90°
• Cell volume: 4889.8 ± 1.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No