Information card for entry 1571015

Structure parameters

• Formula: C78.5 H131.25 F6 Fe2.1 K N9 O8.62 Si3 Zn0.9
• Calculated formula: C78.5 H131.25 F6 Fe2.073 K N9 O8.625 Si3 Zn0.927
• Title of publication: Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.
• Authors of publication: Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 8242 - 8248
• a: 15.4746 ± 0.0007 Å
• b: 23.8238 ± 0.0011 Å
• c: 27.1431 ± 0.0013 Å
• α: 78.401 ± 0.001°
• β: 74.315 ± 0.001°
• γ: 83.137 ± 0.001°
• Cell volume: 9414.8 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No