Information card for entry 7247746

Structure parameters

• Formula: C42 H48 Mn4 N4 O20
• Calculated formula: C42 H48 Mn4 N4 O20
• Title of publication: Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering
• Authors of publication: Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 80 - 99
• a: 10.5827 ± 0.0006 Å
• b: 11.1323 ± 0.0007 Å
• c: 12.6983 ± 0.0008 Å
• α: 104.061 ± 0.003°
• β: 113.978 ± 0.003°
• γ: 90.275 ± 0.003°
• Cell volume: 1316.85 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No