Information card for entry 7129107

Structure parameters

• Chemical name: IR-LT-020(3L1M)
• Formula: C61.62 H49.07 B2 F7.84 Fe N14.07 O3
• Calculated formula: C61.626 H49.074 B2 F7.84 Fe N14.073 O3
• 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: 10.5589 ± 0.0007 Å
• b: 14.5471 ± 0.0009 Å
• c: 21.514 ± 0.0012 Å
• α: 71.694 ± 0.005°
• β: 81.751 ± 0.005°
• γ: 70.445 ± 0.006°
• Cell volume: 2953.7 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No