Information card for entry 7044153

Structure parameters

• Formula: C75 H96 Cl2 Ga2 N4 O6
• Calculated formula: C75 H96 Cl2 Ga2 N4 O6
• Title of publication: Mononuclear Salen-gallium complexes for iso-selective ring-opening polymerization (ROP) of rac-lactide
• Authors of publication: SPECKLIN, David; Fliedel, Christophe; Hild, Frédéric; Mameri, Samir; Karmazin, Lydia; Bailly, Corinne; Dagorne, Samuel
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.03 ± 0.0009 Å
• b: 12.2963 ± 0.0009 Å
• c: 13.1541 ± 0.001 Å
• α: 88.949 ± 0.002°
• β: 85.029 ± 0.002°
• γ: 65.474 ± 0.002°
• Cell volume: 1763.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No