Information card for entry 7705645

Structure parameters

• Formula: C46 H46 B Cl2 Mn N4 O2
• Calculated formula: C46 H46 B Cl2 Mn N4 O2
• Title of publication: Stepwise spin-state switching in a manganese(III) complex.
• Authors of publication: Ghosh, Subrata; Bagchi, Sukanya; Das, Mayurika; Kamilya, Sujit; Mondal, Abhishake
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14776 - 14780
• a: 14.2615 ± 0.001 Å
• b: 21.635 ± 0.0014 Å
• c: 14.4098 ± 0.001 Å
• α: 90°
• β: 116.523 ± 0.002°
• γ: 90°
• Cell volume: 3978.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.1117
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No