Information card for entry 4085771

Structure parameters

• Formula: C80 H70 Sm
• Calculated formula: C80 H70 Sm
• SMILES: [Sm]12345678([c]9([c]4([c]3([c]2([c]19Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)[c]1([c]5([c]6([c]7([c]81Cc1ccccc1)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: 14.9113 ± 0.0006 Å
• b: 22.7697 ± 0.001 Å
• c: 18.0716 ± 0.0008 Å
• α: 90°
• β: 108.658 ± 0.001°
• γ: 90°
• Cell volume: 5813.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No