Information card for entry 7135287

Structure parameters

• Formula: C37 H45 Fe N O2 Sn
• Calculated formula: C37 H45 Fe N O2 Sn
• Title of publication: Ammonia reactivity with ferriotetrylenes: a structural snapshot of a highly dynamic process.
• Authors of publication: Cao, Phuong Anh; Phung, Alice C.; Schwirzke, Ella L.; Fettinger, James C.; Rusmore, Theo A. H.; Mears, Kristian L.; Vasko, Petra; Power, Philip P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 96
• Pages of publication: 19092 - 19095
• a: 10.7163 ± 0.0019 Å
• b: 14.799 ± 0.003 Å
• c: 21.254 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3370.7 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No