Information card for entry 2023181

Structure parameters

• Chemical name: Aqua-1κ<i>O</i>-di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-bis[6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ^2^<i>N</i>^1^,<i>N</i>^2^;2κ^2^<i>N</i>^1^,<i>N</i>^2^-dimanganese(II)
• Formula: C48 H48 Cl4 Mn2 N6 O
• Calculated formula: C48 H48 Cl4 Mn2 N6 O
• Title of publication: Synthesis, crystal structure and photophysical properties of a dinuclear Mn^II complex with 6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline.
• Authors of publication: Le Thi Hong, Hai; Hoang Tuan, Duong; Nguyen Duc, Anh; Nguyen, Hien; Van Meervelt, Luc
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 795 - 799
• a: 8.7491 ± 0.0002 Å
• b: 13.2133 ± 0.0003 Å
• c: 21.3793 ± 0.0005 Å
• α: 88.914 ± 0.002°
• β: 82.29 ± 0.002°
• γ: 88.989 ± 0.002°
• Cell volume: 2448.48 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No