Information card for entry 2205944

Structure parameters

• Chemical name: μ-Oxo-bis{chloro[N-(2-methoxyethyl)-N,N-bis(pyridin-2-ylmethyl)amine- κ^4^-N,N',N'',O]iron(III)} bis(trifluoromethanesulfonate) acetonitrile disolvate
• Formula: C36 H44 Cl2 F6 Fe2 N8 O9 S2
• Calculated formula: C36 H44 Cl2 F6 Fe2 N8 O9 S2
• Title of publication: μ-Oxo-bis{chloro[<i>N</i>-(2-methoxyethyl)-<i>N</i>,<i>N</i>-bis(pyridin-2-ylmethyl)amine-κ^4^-<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]iron(III)} bis(trifluoromethanesulfonate) acetonitrile disolvate
• Authors of publication: Kooijman, Huub; Son, Martin van; Tanase, Stefania; Bouwman, Elisabeth; Reedijk, Jan; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1042 - m1044
• a: 8.6773 ± 0.001 Å
• b: 11.585 ± 0.002 Å
• c: 12.068 ± 0.002 Å
• α: 77.137 ± 0.014°
• β: 79.072 ± 0.014°
• γ: 79.279 ± 0.014°
• Cell volume: 1148.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes