Information card for entry 7707440

Structure parameters

• Formula: C38 H34 Br2 Mn O4 P2
• Calculated formula: C38 H34 Br2 Mn O4 P2
• Title of publication: Functionalized triphenylphosphine oxide-based manganese(II) complexes for luminescent printing.
• Authors of publication: Huang, Xiaomeng; Qin, Yanyan; She, Pengfei; Meng, Haixing; Liu, Shujuan; Zhao, Qiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8831 - 8836
• a: 18.152 ± 0.005 Å
• b: 11.553 ± 0.003 Å
• c: 18.905 ± 0.005 Å
• α: 90°
• β: 109.307 ± 0.007°
• γ: 90°
• Cell volume: 3741.6 ± 1.7 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 301.27 K
• Number of distinct elements: 6
• 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: 0.0989
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No