Information card for entry 7233970

Structure parameters

• Formula: C80 H50 Mn2 N8 O20
• Calculated formula: C80 H50 Mn2 N8 O20
• Title of publication: Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties
• Authors of publication: Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 9.9572 ± 0.0002 Å
• b: 26.9337 ± 0.0007 Å
• c: 13.2241 ± 0.0003 Å
• α: 90°
• β: 101.326 ± 0.001°
• γ: 90°
• Cell volume: 3477.43 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No