Information card for entry 4346104

Structure parameters

• Formula: C20 H20 F6 Fe N9 O7 S2
• Calculated formula: C20 H20 F6 Fe N9 O7 S2
• SMILES: [Fe]123(=C4N5C=CN4CN4C=1N(C=C4)CCN1C=2N(C=C1)CN1C=3N(C=C1)CC5)N=O.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: An exclusively organometallic {FeNO}(7) complex with tetracarbene ligation and a linear FeNO unit.
• Authors of publication: Kupper, Claudia; Schober, Anne; Demeshko, Serhiy; Bergner, Marie; Meyer, Franc
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3096 - 3098
• a: 10.506 ± 0.002 Å
• b: 12.075 ± 0.002 Å
• c: 12.948 ± 0.003 Å
• α: 66.52 ± 0.03°
• β: 88.96 ± 0.03°
• γ: 67.42 ± 0.03°
• Cell volume: 1373.3 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No