Information card for entry 7706639

Structure parameters

• Formula: C56 H74 Fe N8 O
• Calculated formula: C56 H74 Fe N8 O
• 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: 14.1052 ± 0.0013 Å
• b: 14.6434 ± 0.0015 Å
• c: 24.98 ± 0.002 Å
• α: 90°
• β: 105.549 ± 0.003°
• γ: 90°
• Cell volume: 4970.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No