Information card for entry 7128759

Structure parameters

• Formula: C48 H97 Cl8 Fe15 N8 O39
• Calculated formula: C48 H97.0002 Cl8 Fe15 N8 O39.0002
• Title of publication: [Fe₁₅]: a frustrated, centred tetrakis hexahedron.
• Authors of publication: Cutler, Daniel J.; Singh, Mukesh K.; Nichol, Gary S.; Evangelisti, Marco; Schnack, Jürgen; Cronin, Leroy; Brechin, Euan K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8925 - 8928
• a: 15.1578 ± 0.0005 Å
• b: 15.1578 ± 0.0005 Å
• c: 31.4738 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6262.6 ± 0.4 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No