Information card for entry 4078808

Structure parameters

• Formula: C44 H64 Cl2 Li N4 O3 Y
• Calculated formula: C44 H64 Cl2 Li N4 O3 Y
• SMILES: [Y]1234([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)([N](c1c([N]3=C(N2c2c(cccc2C)C)C(C)(C)C)cccc1)=C(N4c1c(cccc1C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate) Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of Stabilization or Destabilization?
• Authors of publication: Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5405
• a: 12.7626 ± 0.0019 Å
• b: 13.559 ± 0.002 Å
• c: 14.789 ± 0.002 Å
• α: 80.15 ± 0.004°
• β: 71.462 ± 0.003°
• γ: 66.438 ± 0.003°
• Cell volume: 2221.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2126
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No