Information card for entry 4314746

Structure parameters

• Formula: C60 H52 F14 Fe N4 O4 Sb
• Calculated formula: C60 H52 F14 Fe N4 O4 Sb
• SMILES: c12=C(c3ccc4C(=c5ccc6[n]5[Fe]5([n]2c(cc1)C(=c1ccc(=C6c2c(F)cccc2F)n51)c1c(F)cccc1F)(n34)([O]1CCCC1)[O]1CCCC1)c1c(F)cccc1F)c1c(F)cccc1F.F[Sb](F)(F)(F)(F)[F-].C1OCCC1.C1CCCO1
• Title of publication: Reductive Coupling of Nitrogen Monoxide (.NO) Facilitated by Heme/Copper Complexes
• Authors of publication: Jun Wang; Mark P. Schopfer; Simona C. Puiu; Amy A. N. Sarjeant; Kenneth D. Karlin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1404 - 1419
• a: 10.0838 ± 0.0002 Å
• b: 28.9427 ± 0.0006 Å
• c: 11.7757 ± 0.0003 Å
• α: 90°
• β: 102.782 ± 0.002°
• γ: 90°
• Cell volume: 3351.6 ± 0.13 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No