Information card for entry 7000338

Structure parameters

• Formula: C60 H72 Lu N6 P
• Calculated formula: C60 H72 Lu N6 P
• SMILES: c1(c(cccc1C(C)C)C(C)C)N[Lu]12([N](c3c(cc(cc3C)C)C)=N[N]1=P(c1ccccc1)(c1ccccc1)c1ccccc1CN2c1c(cccc1C)C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Rare-earth metal complexes stabilized by amino-phosphine ligand. Reaction with mesityl azide and catalysis of the cycloaddition of organic azides and aromatic alkynes
• Authors of publication: Liu, Bo; Cui, Dongmei
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 550 - 556
• a: 13.243 ± 0.0019 Å
• b: 13.321 ± 0.002 Å
• c: 19.106 ± 0.003 Å
• α: 71.435 ± 0.003°
• β: 84.227 ± 0.003°
• γ: 83.052 ± 0.003°
• Cell volume: 3164.7 ± 0.8 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1808
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No