Information card for entry 7033488

Structure parameters

• Common name: [MnCl2(DPEPO)].EtOH
• Formula: C38 H34 Cl2 Mn O4 P2
• Calculated formula: C38 H34 Cl2 Mn O4 P2
• SMILES: [Mn]1(Cl)([O]=P(c2ccccc2)(c2ccccc2)c2ccccc2Oc2ccccc2P(=[O]1)(c1ccccc1)c1ccccc1)Cl.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: 9.623 ± 0.004 Å
• b: 12.807 ± 0.005 Å
• c: 15.196 ± 0.006 Å
• α: 107.779 ± 0.006°
• β: 90.856 ± 0.005°
• γ: 93.551 ± 0.004°
• Cell volume: 1778.8 ± 1.2 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: 0.0583
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No