Information card for entry 4073929

Structure parameters

• Formula: C40 H60 Cl14 D4 Mg N12
• Calculated formula: C40 H60 Cl14 D4 Mg N12
• 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: 11.453 ± 0.003 Å
• b: 14.319 ± 0.003 Å
• c: 17.84 ± 0.004 Å
• α: 90°
• β: 95.953 ± 0.004°
• γ: 90°
• Cell volume: 2909.9 ± 1.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.741
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No