Information card for entry 7014198

Structure parameters

• Common name: Fe5Bta
• Formula: C45 H60.6 Cl5 Fe5 N18 O11.8
• Calculated formula: C45 H58 Cl5 Fe5 N18 O11.8
• Title of publication: A centred, elongated "ferric tetrahedron" with an S= 15/2 spin ground state.
• Authors of publication: Tabernor, James; Jones, Leigh F.; Heath, Sarah L.; Muryn, Chris; Aromi, Guillem; Ribas, Joan; Brechin, Euan K.; Collison, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 975 - 976
• a: 12.123 ± 0.003 Å
• b: 12.614 ± 0.003 Å
• c: 12.944 ± 0.003 Å
• α: 61.43 ± 0.02°
• β: 65.86 ± 0.02°
• γ: 69.39 ± 0.02°
• Cell volume: 1555.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No