Information card for entry 4088143

Structure parameters

• Formula: C82 H110 N12 O2.5 Y2
• Calculated formula: C82 H110 N12 O2.5 Y2
• Title of publication: Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand
• Authors of publication: Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 126
• a: 13.3399 ± 0.0005 Å
• b: 13.5884 ± 0.0005 Å
• c: 24.7004 ± 0.001 Å
• α: 78.055 ± 0.001°
• β: 83.095 ± 0.001°
• γ: 62.848 ± 0.001°
• Cell volume: 3896 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No