Information card for entry 4073930

Structure parameters

• Formula: C21 H33 Mg N6
• Calculated formula: C21 H33 Mg N6
• SMILES: [Mg]12([n]3n(C(n4[n]1c(cc4C)C)C(=N\CC)/N2C(C)(C)C)c(cc3C)C)=CC=C
• Title of publication: Well-Defined Alkyl Heteroscorpionate Magnesium Complexes as Excellent Initiators for the ROP of Cyclic Esters
• Authors of publication: Sánchez-Barba, Luis F.; Garcés, Andrés; Fajardo, Mariano; Alonso-Moreno, Carlos; Fernández-Baeza, Juan; Otero, Antonio; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; López-Solera, María I.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6403
• a: 12.001 ± 0.004 Å
• b: 13.847 ± 0.005 Å
• c: 14.45 ± 0.005 Å
• α: 90°
• β: 113.049 ± 0.005°
• γ: 90°
• Cell volume: 2209.6 ± 1.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.532
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No