Information card for entry 7711616

Structure parameters

• Formula: C33 H30 Cl2 Mn N4 O
• Calculated formula: C33 H30 Cl2 Mn N4 O
• Title of publication: Ligand-regulated three-photon AIE properties of manganese(II) complexes for photodynamic therapy.
• Authors of publication: Liu, Lingling; Zhu, Tong; Cai, Changting; Wang, Lianke; Li, Shengli; Lian, Xiao; Feng, Yan; Tian, Yupeng; Zhang, Qiong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 25.774 ± 0.005 Å
• b: 17.081 ± 0.003 Å
• c: 28.009 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12331 ± 4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No