Information card for entry 7705866

Structure parameters

• Formula: C31 H24.5 Br2 Mn N2.5 O4
• Calculated formula: C31 H24.5 Br2 Mn N2.5 O4
• Title of publication: Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.
• Authors of publication: Huang, Po-Jung; Miyasaka, Hitoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16970 - 16978
• a: 10.7928 ± 0.0003 Å
• b: 10.7928 ± 0.0003 Å
• c: 49.2053 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5731.7 ± 0.3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1819
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No