Information card for entry 7712332

Structure parameters

• Formula: C9 H15 Br5 Mn N6
• Calculated formula: C9 H15 Br5 Mn N6
• Title of publication: Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence
• Authors of publication: Jung, Mi Hee
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.568 ± 0.003 Å
• b: 12.568 ± 0.003 Å
• c: 25.478 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4024 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No