Information card for entry 4088882

Structure parameters

• Formula: C55 H88 N5 Si2 Y
• Calculated formula: C55 H88 N5 Si2 Y
• SMILES: [Y]12([N](=C(N1[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([Si](C)(C)C)[Si](C)(C)C.CCCCCCC
• 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: 16.5999 ± 0.0004 Å
• b: 11.5487 ± 0.0002 Å
• c: 28.9601 ± 0.0007 Å
• α: 90°
• β: 94.457 ± 0.002°
• γ: 90°
• Cell volume: 5535.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No