Information card for entry 4085773

Structure parameters

• Formula: C88 H90 I2 O4 Yb2
• Calculated formula: C88 H90 I2 O4 Yb2
• SMILES: [c]12([c]3([c]4([c]5([Yb]67134([O](C)CC[O]6C)([c]25Cc1ccccc1)[I][Yb]12345([c]6([c]4([c]3([c]2([c]16Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)([I]7)[O](C)CC[O]5C)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Base-Free Lanthanoidocenes(II) Coordinated by Bulky Pentabenzylcyclopentadienyl Ligands
• Authors of publication: Selikhov, Alexander N.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Larionova, Joulia; Long, Jêrome; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1991
• a: 14.29408 ± 0.00019 Å
• b: 10.36858 ± 0.00015 Å
• c: 25.276 ± 0.0003 Å
• α: 90°
• β: 97.3273 ± 0.0012°
• γ: 90°
• Cell volume: 3715.55 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No