Information card for entry 7712333

Structure parameters

• Formula: C12 H26 Br4 Mn N2
• Calculated formula: C12 H30 Br4 Mn N2
• 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: 13.149 ± 0.003 Å
• b: 12.377 ± 0.003 Å
• c: 13.958 ± 0.003 Å
• α: 90°
• β: 96.28 ± 0.03°
• γ: 90°
• Cell volume: 2258 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1692
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.4228
• Weighted residual factors for all reflections included in the refinement: 0.4726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.467
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No