Information card for entry 7706640

Structure parameters

• Chemical name: [OEPFe(Et2NC6H4NO]SbF6
• Formula: C47 H60 Cl2 F6 Fe N6 O Sb
• Calculated formula: C47 H60 Cl2 F6 Fe N6 O Sb
• Title of publication: Insight into the preferential N-binding <i>versus</i> O-binding of nitrosoarenes to ferrous and ferric heme centers.
• Authors of publication: Abucayon, Erwin G.; Chu, Jia-Min; Ayala, Megan; Khade, Rahul L.; Zhang, Yong; Richter-Addo, George B
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 3487 - 3498
• a: 13.2553 ± 0.0008 Å
• b: 13.6557 ± 0.0008 Å
• c: 15.0672 ± 0.0009 Å
• α: 79.6981 ± 0.001°
• β: 77.0265 ± 0.001°
• γ: 64.4348 ± 0.0009°
• Cell volume: 2387.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0564
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No