Information card for entry 4088877

Structure parameters

• Formula: C98 H124 Cl2 N8 Y2
• Calculated formula: C98 H124 Cl2 N8 Y2
• SMILES: [Y]123([Cl][Y]45([Cl]1)([N](=C(N4[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1)[N](=C(N5[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1)([N](=C(N2[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1)[N](=C(N3[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1.c1(ccccc1)C.Cc1ccccc1
• Title of publication: Enantiopure Amidinate Complexes of the Rare-Earth Elements
• Authors of publication: Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3474
• a: 10.8692 ± 0.0002 Å
• b: 14.5825 ± 0.0003 Å
• c: 15.6131 ± 0.0003 Å
• α: 93.542 ± 0.002°
• β: 106.261 ± 0.002°
• γ: 107.213 ± 0.002°
• Cell volume: 2240.87 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No