Information card for entry 1563888

Structure parameters

• Formula: C96 H136 Cl2 Fe4 Li2 N20 O7
• Calculated formula: C96 H136 Cl2 Fe4 Li2 N20 O7
• 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: 28.0344 ± 0.0015 Å
• b: 26.8828 ± 0.0013 Å
• c: 16.7433 ± 0.0009 Å
• α: 90°
• β: 123.909 ± 0.002°
• γ: 90°
• Cell volume: 10472.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No