Information card for entry 4078810

Structure parameters

• Formula: C52 H80 Cl2 Li N4 O3 Y
• Calculated formula: C52 H80 Cl2 Li N4 O3 Y
• SMILES: [Y]123([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[N](c1c(cccc1C(C)C)C(C)C)=C(N2c1ccccc1N3/C(=N\c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C
• 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: 10.3374 ± 0.0004 Å
• b: 19.4923 ± 0.0008 Å
• c: 26.3232 ± 0.0011 Å
• α: 90°
• β: 100.236 ± 0.001°
• γ: 90°
• Cell volume: 5219.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No