Information card for entry 4067632

Structure parameters

• Formula: C44 H64 N7 Y
• Calculated formula: C44 H64 N7 Y
• SMILES: [Y]1234(N(Cc5[n]1c(ccc5)CN2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N(C)C=C[N]3=Cc1[n]4ccn1C.C(CCC)C
• Title of publication: Reactions of Aromatic N-Heterocycles with Yttrium and Lutetium Benzyl Complexes Supported by a Pyridine-Diamide Ligand
• Authors of publication: Jie, Suyun; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1222
• a: 15.316 ± 0.003 Å
• b: 16.488 ± 0.004 Å
• c: 18.773 ± 0.004 Å
• α: 68.659 ± 0.002°
• β: 78.608 ± 0.002°
• γ: 76.991 ± 0.002°
• Cell volume: 4267.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No