Information card for entry 4088885

Structure parameters

• Formula: C24.5 H33 Cl N2
• Calculated formula: C24.5 H33 Cl N2
• SMILES: C(C(C)(C)C)(=[NH+][C@@H](C)c1ccccc1)N[C@@H](C)c1ccccc1.Cc1ccccc1.[Cl-]
• 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: 8.4967 ± 0.0005 Å
• b: 17.3514 ± 0.0007 Å
• c: 16.4202 ± 0.0011 Å
• α: 90°
• β: 102.371 ± 0.005°
• γ: 90°
• Cell volume: 2364.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No