Information card for entry 7033489

Structure parameters

• Common name: [MnBr2(DPEPO)].EtOH
• Formula: C38 H34 Br2 Mn O4 P2
• Calculated formula: C38 H34 Br2 Mn O4 P2
• SMILES: Br[Mn]1(Br)[O]=P(c2c(Oc3c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc3)cccc2)(c1ccccc1)c1ccccc1.OCC
• Title of publication: Intense photo- and tribo-luminescence of three tetrahedral manganese(ii) dihalides with chelating bidentate phosphine oxide ligand.
• Authors of publication: Chen, Jun; Zhang, Qing; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Wu, A-Qing; Guo, Guo-Cong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3289 - 3294
• a: 9.717 ± 0.005 Å
• b: 12.898 ± 0.006 Å
• c: 15.304 ± 0.007 Å
• α: 107.441 ± 0.007°
• β: 91.153 ± 0.004°
• γ: 94.176 ± 0.004°
• Cell volume: 1823.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1981
• 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