Information card for entry 4086169

Structure parameters

• Formula: C22 H32 N4 Zn
• Calculated formula: C22 H32 N4 Zn
• SMILES: [Zn]123([n]4n(c(cc4C)C)C(n4[n]1c(cc4C)C)C(C12[CH]3=CC=C1)C(C)(C)C)C
• Title of publication: New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides
• Authors of publication: Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3196
• a: 9.713 ± 0.001 Å
• b: 9.954 ± 0.0009 Å
• c: 12.261 ± 0.0017 Å
• α: 86.772 ± 0.007°
• β: 82.268 ± 0.007°
• γ: 67.212 ± 0.006°
• Cell volume: 1083 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No