Information card for entry 7033490

Structure parameters

• Common name: [MnI2(DPEPO)]
• Formula: C36 H28 I2 Mn O3 P2
• Calculated formula: C36 H28 I2 Mn O3 P2
• SMILES: I[Mn]1([O]=P(c2ccccc2)(c2ccccc2)c2ccccc2Oc2ccccc2P(=[O]1)(c1ccccc1)c1ccccc1)I
• 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: 12.244 ± 0.006 Å
• b: 16.451 ± 0.007 Å
• c: 18.121 ± 0.009 Å
• α: 90°
• β: 102.496 ± 0.011°
• γ: 90°
• Cell volume: 3564 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No