Information card for entry 7715656

Structure parameters

• Formula: C60 H68 Cl2 Mn2 N4 O16
• Calculated formula: C60 H68 Cl2 Mn2 N4 O16
• Title of publication: Unlocking single molecule magnetism: a supramolecular strategy for isolating neutral Mn^III salen-type dimer in crystalline environments.
• Authors of publication: Kyoya, Yuri; Takahashi, Kiyonori; Kosaka, Wataru; Huang, Rui-Kang; Xue, Chen; Wu, Jia-Bing; Miyasaka, Hitoshi; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7517 - 7521
• a: 10.4886 ± 0.0007 Å
• b: 11.1906 ± 0.0006 Å
• c: 12.9544 ± 0.0007 Å
• α: 90.277 ± 0.004°
• β: 102.249 ± 0.005°
• γ: 98.094 ± 0.005°
• Cell volume: 1470.14 ± 0.15 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0896
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No