Information card for entry 7720331

Structure parameters

• Formula: C46 H44 B Br2 Cl2 Mn N4 O2
• Calculated formula: C46 H44 B Br2 Cl2 Mn N4 O2
• Title of publication: Dihalogen-substituted [MnIII(3,5-diHal-sal2323)]BPh4 salts: so similar but so different
• Authors of publication: Korchagin, Denis V.; Shilov, Gennady V.; Zhidkov, Michael V.; Dmitriev, Alexey I.; Palii, Andrei; Yagubskii, Eduard Borisovich; Aldoshin, Sergey M.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 14.9035 ± 0.0007 Å
• b: 22.8438 ± 0.0009 Å
• c: 14.3442 ± 0.0008 Å
• α: 90°
• β: 116.755 ± 0.006°
• γ: 90°
• Cell volume: 4360.7 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No