Information card for entry 7714078

Structure parameters

• Formula: C44 H54 Cl2 Mn N8 O13
• Calculated formula: C44 H54 Cl2 Mn N8 O13
• SMILES: [Mn]123456([O]=C(NCCCC)c7[n]3c3c(ccc8c3[n]5c(C(NCCCC)=[O]6)cc8)cc7)[O]=C(NCCCC)c3[n]4c4c(ccc5c4[n]2c(C(=[O]1)NCCCC)cc5)cc3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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: 13.8971 ± 0.0002 Å
• b: 21.2744 ± 0.0003 Å
• c: 16.648 ± 0.0003 Å
• α: 90°
• β: 106.152 ± 0.002°
• γ: 90°
• Cell volume: 4727.74 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No