Information card for entry 7055997

Structure parameters

• Formula: C48 H70 Cl In N2 O2
• Calculated formula: C48 H70 Cl In N2 O2
• SMILES: [In]123(Cl)Oc4c(cc(cc4C[N]1(C)CC[N]3(C)Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Salan group 13 complexes ‒ structural study and lactide polymerisation
• Authors of publication: Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 2198
• a: 21.6467 ± 0.0009 Å
• b: 13.105 ± 0.0007 Å
• c: 32.3338 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9172.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No