Information card for entry 7100884

Structure parameters

• Formula: C19 H31 F6 Fe N7 O6 S2
• Calculated formula: C19 H31 F6 Fe N7 O6 S2
• SMILES: [Fe]1234([n]5c(cccc5C(C[NH2]3)(C[NH2]4)C)C(C[NH2]1)(C[NH2]2)C)[n]1cc[n](c1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A non-heme dinuclear iron(II) complex containing a single, unsupported hydroxo bridge
• Authors of publication: Pitarch Lopez, J.; Kampf, H.; Heinemann, F. W.; Prakash, R.; Grohmann, A.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 10.1099 ± 0.0006 Å
• b: 11.2823 ± 0.0009 Å
• c: 24.199 ± 0.003 Å
• α: 90°
• β: 90.774 ± 0.007°
• γ: 90°
• Cell volume: 2760 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No