Information card for entry 4341793

Structure parameters

• Formula: C77.5 H73.5 B4 F16 Fe4 N20.75 O
• Calculated formula: C77.5 H74.25 B4 F16 Fe4 N20.75 O
• Title of publication: Spin Crossover in Tetranuclear Fe(II) Complexes, {[(tpma)Fe(μ-CN)]4}X4 (X = ClO4(-), BF4(-)).
• Authors of publication: Hietsoi, Oleksandr; Dunk, Paul W.; Stout, Heather D.; Arroyave, Alejandra; Kovnir, Kirill; Irons, Raechel E.; Kassenova, Nazira; Erkasov, Rakhmetulla; Achim, Catalina; Shatruk, Michael
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141202143346008
• a: 36.995 ± 0.005 Å
• b: 27.796 ± 0.004 Å
• c: 25.479 ± 0.006 Å
• α: 90°
• β: 133.253 ± 0.001°
• γ: 90°
• Cell volume: 19083 ± 6 ų
• Cell temperature: 209 ± 2 K
• Ambient diffraction temperature: 209 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2795
• Weighted residual factors for all reflections included in the refinement: 0.3112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No