Information card for entry 7000339

Structure parameters

• Formula: C62 H80 N10 P Sc Si2
• Calculated formula: C62 H80 N10 P Sc Si2
• SMILES: [Sc]1234(N(Cc5c(P(=[N]1N=[N]2c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)cccc5)c1c(cccc1C)C)(N(/[N]3=N/c1c(cc(cc1C)C)C)C[Si](C)(C)C)N(/[N]4=N/c1c(cc(cc1C)C)C)C[Si](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: 12.0822 ± 0.001 Å
• b: 21.7373 ± 0.0018 Å
• c: 12.8265 ± 0.001 Å
• α: 90°
• β: 112.738 ± 0.001°
• γ: 90°
• Cell volume: 3106.9 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No