Information card for entry 7707441

Structure parameters

• Formula: C40 H40 Br2 Mn N2 O2 P2
• Calculated formula: C40 H40 Br2 Mn N2 O2 P2
• SMILES: Br[Mn](Br)([O]=P(c1c(N(C)C)cccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1c(N(C)C)cccc1
• 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: 16.8598 ± 0.0017 Å
• b: 12.7324 ± 0.0013 Å
• c: 18.1108 ± 0.0016 Å
• α: 90°
• β: 93.791 ± 0.003°
• γ: 90°
• Cell volume: 3879.3 ± 0.7 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299.24 K
• Number of distinct elements: 7
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No