Information card for entry 4322623

Structure parameters

• Formula: C38 H36 F6 Fe N8 O6 S2
• Calculated formula: C38 H36 F6 Fe N8 O6 S2
• SMILES: [Fe]1234([N](Cc5[n]1cccc5)(Cc1[n]2cccc1)Cc1ncccc1)[N](Cc1[n]3cccc1)(Cc1[n]4cccc1)Cc1ncccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Iron(II) Polyamine Chemistry: Variation of Spin State and Coordination Number in Solid State and Solution with Iron(II) Tris(2-pyridylmethyl)amine Complexes
• Authors of publication: Alain Diebold; Karl S. Hagen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 215 - 223
• a: 10.236 ± 0.001 Å
• b: 10.129 ± 0.001 Å
• c: 19.251 ± 0.001 Å
• α: 90°
• β: 92.27 ± 0.01°
• γ: 90°
• Cell volume: 1994.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.1205
• Weighted residual factors for significantly intense reflections: 0.1173
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No