Information card for entry 7060227

Structure parameters

• Common name: complex1
• Formula: C76 H64 Cl2 F2 Mn4 N8 O20 Se2
• Calculated formula: C76 H64 Cl2 F2 Mn4 N8 O20 Se2
• Title of publication: An aromatic selenite bridged Mn(iii) chain compound showing the coexistence of single chain magnet and metamagnet behaviour
• Authors of publication: Zhang, Shao-Liang; Li, Shan-Shan; Li, Xin-Chao; Hou, Xian-Hui; Wang, Zhi-Cheng; Ji, Xiao-Ying; Chen, Lei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19996 - 20000
• a: 10.3681 ± 0.0011 Å
• b: 13.6354 ± 0.0014 Å
• c: 14.6562 ± 0.0014 Å
• α: 99.001 ± 0.002°
• β: 109.776 ± 0.003°
• γ: 100.88 ± 0.002°
• Cell volume: 1859.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2513
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No