Information card for entry 7714079

Structure parameters

• Formula: C40 H48 Cl2 Mn N20 O8
• Calculated formula: C40 H48 Cl2 Mn N20 O8
• SMILES: [Mn]123456([n]7c(c8[n]3nn(n8)C(C)(C)C)cccc7c3[n]1c(ccc3)c1[n]2nn(n1)C(C)(C)C)[n]1c(cccc1c1[n]4c(ccc1)c1[n]5nn(n1)C(C)(C)C)c1[n]6nn(n1)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Slow Magnetic Relaxation in 8-Coordinate Mn(II) Compounds
• Authors of publication: Wang, Li-Xin; Wu, Xiao-Fan; Jin, Xinxin; Li, Jia-Yi; Wang, Bingwu; Liu, Jiyan; Xiang, Jing; Gao, Song
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.937 ± 0.002 Å
• b: 39.707 ± 0.008 Å
• c: 12.853 ± 0.003 Å
• α: 90°
• β: 110.8 ± 0.03°
• γ: 90°
• Cell volume: 5218 ± 2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No