Information card for entry 7124246

Structure parameters

• Formula: C111 H177 La2 N4 O10
• Calculated formula: C111 H177 La2 N4 O10
• Title of publication: Dihydrogen activation by intermolecular rare-earth aryloxide/N-heterocyclic carbene Lewis pairs
• Authors of publication: Chang, Kejian; Dong, Yifan; Xu, Xin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 21.2202 ± 0.0011 Å
• b: 12.708 ± 0.0006 Å
• c: 22.4553 ± 0.0012 Å
• α: 90°
• β: 110.496 ± 0.002°
• γ: 90°
• Cell volume: 5672.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0606
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No