Information card for entry 7055994

Structure parameters

• Formula: C38 H58 Cl In N2 O2
• Calculated formula: C38 H58 Cl In N2 O2
• SMILES: [In]123(Cl)Oc4c(cc(cc4C[N]41CCC[C@H]4[C@@H]1[N]3(CCC1)Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)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: 12.3467 ± 0.0003 Å
• b: 15.823 ± 0.0004 Å
• c: 19.2186 ± 0.0005 Å
• α: 90°
• β: 94.865 ± 0.003°
• γ: 90°
• Cell volume: 3741.05 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0214
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No