Information card for entry 7247747

Structure parameters

• Formula: C30 H32 Mn2 N6 O8
• Calculated formula: C30 H32 Mn2 N6 O8
• 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: 7.8214 ± 0.0005 Å
• b: 9.9952 ± 0.0006 Å
• c: 10.4841 ± 0.0007 Å
• α: 94.868 ± 0.002°
• β: 105.897 ± 0.002°
• γ: 94.543 ± 0.002°
• Cell volume: 780.92 ± 0.09 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: 0.0651
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No