Information card for entry 4078813

Structure parameters

• Formula: C122 H164 N8 O4 Y2
• Calculated formula: C122 H164 N8 O4 Y2
• SMILES: [Y]1234([O](C)[Y]56([O]1C)([N](c1c(cccc1C(C)C)C(C)C)=C(N5c1c(N6C(=N\c2c(cccc2C(C)C)C(C)C)\C(C)(C)C)cccc1)C(C)(C)C)[O](CC[O]2C)C)[N](c1c(cccc1C(C)C)C(C)C)=C(N3c1c(N4/C(=N/c2c(cccc2C(C)C)C(C)C)C(C)(C)C)cccc1)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 30.5945 ± 0.0013 Å
• b: 22.7252 ± 0.001 Å
• c: 33.2068 ± 0.0014 Å
• α: 90°
• β: 105.751 ± 0.001°
• γ: 90°
• Cell volume: 22220.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No