Information card for entry 7129112

Structure parameters

• Formula: C126 H108 B7 F34 Fe6 N32
• Calculated formula: C126 H108 B7 F34 Fe6 N32
• Title of publication: Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.
• Authors of publication: Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11252 - 11255
• a: 26.679 ± 0.003 Å
• b: 26.679 ± 0.003 Å
• c: 21.8284 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13455 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No