Information card for entry 7046539

Structure parameters

• Formula: C24 H68 Cs6 Fe3 N18 O55 S12
• Calculated formula: C24 H68 Cs6 Fe3 N18 O55 S12
• Title of publication: Tuning the spin crossover behavior of the polyanion [(H₂O)₆Fe₃(μ-L)₆]^6-: the case of the cesium salt.
• Authors of publication: Moneo-Corcuera, Andrea; Nieto-Castro, David; Sáenz de Pipaón, Cristina; Gómez, Verónica; Maldonado-Illescas, Pilar; Galan-Mascaros, Jose Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 11895 - 11902
• a: 34.4273 ± 0.0012 Å
• b: 11.4107 ± 0.0004 Å
• c: 26.1316 ± 0.0009 Å
• α: 90°
• β: 128.229 ± 0.0008°
• γ: 90°
• Cell volume: 8064 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No