Information card for entry 1571003

Structure parameters

• Formula: C54 H94.96 Fe2 N6 Na2 O3 Si3
• Calculated formula: C54 H94.962 Fe2 N6 Na2 O3 Si3
• 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: 11.04 ± 0.002 Å
• b: 14.175 ± 0.003 Å
• c: 21.29 ± 0.005 Å
• α: 106.479 ± 0.004°
• β: 93.058 ± 0.004°
• γ: 106.77 ± 0.004°
• Cell volume: 3025.6 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No