Information card for entry 1563887

Structure parameters

• Formula: C82 H110 Fe3 N24 O5
• Calculated formula: C82.001 H110.003 Fe3 N24.001 O5
• Title of publication: A multimetal-ligand cooperative approach to CO2 activation
• Authors of publication: Cook, Brian J.; Polezhaev, Alexander V.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 510 - 515
• a: 15.7062 ± 0.0007 Å
• b: 21.3807 ± 0.001 Å
• c: 27.0892 ± 0.0013 Å
• α: 90°
• β: 98.848 ± 0.002°
• γ: 90°
• Cell volume: 8988.6 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0966
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.1556
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9491
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No