Information card for entry 1540656

Structure parameters

• Chemical name: [(Cp2Co)x(TEA)3-x][In3(BTC)4]
• Formula: C12 H4 Co0.28 In O8
• Calculated formula: C12 H4 Co0.282 In O8
• Title of publication: Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF
• Authors of publication: Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 2037
• a: 20.4031 ± 0.0002 Å
• b: 20.4031 ± 0.0002 Å
• c: 20.4031 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8493.53 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No