Information card for entry 1557865

Structure parameters

• Formula: C44 H59 In N2 O2
• Calculated formula: C44 H59 In N2 O2
• Title of publication: Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands
• Authors of publication: Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 25
• Pages of publication: 6485 - 6491
• a: 17.5732 ± 0.0015 Å
• b: 13.8493 ± 0.0011 Å
• c: 18.4226 ± 0.0015 Å
• α: 90°
• β: 117.891 ± 0.002°
• γ: 90°
• Cell volume: 3962.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No