Information card for entry 4349499

Structure parameters

• Formula: C78 H108 Cl10 Mn6 N4 O16
• Calculated formula: C78 H108 Cl10 Mn6 N4 O16
• Title of publication: Ferromagnetism in polynuclear systems based on non-linear [MnII2MnIII] building blocks
• Authors of publication: Cirera, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz, Eliseo
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1272
• a: 19.121 ± 0.004 Å
• b: 12.396 ± 0.003 Å
• c: 20.085 ± 0.004 Å
• α: 90°
• β: 96.26 ± 0.03°
• γ: 90°
• Cell volume: 4732.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1107
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No