Information card for entry 2312552

Structure parameters

• Chemical name: Diaquatetrakis(methyldiphenylphosphine oxide)manganese(II) tetrachloridomanganate(II)
• Formula: C52 H56 Cl4 Mn2 O6 P4
• Calculated formula: C52 H56 Cl4 Mn2 O6 P4
• Title of publication: Synthesis, structure and red-light emission of a manganese halide directed by a methyldiphenylphosphine oxide complex.
• Authors of publication: Li, Jia Wei; Niu, Mengyuan; Feng, Wei; Dong, Wenke; Liu, Yanjie; Yang, Jingjing; Wang, Chunjie; Zhang, Hui; Song, Wei Wu
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• a: 21.0944 ± 0.0003 Å
• b: 21.0944 ± 0.0003 Å
• c: 12.0785 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5374.61 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34135 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes