Information card for entry 4131689

Structure parameters

• Formula: C52 H70 B3 F12 Fe2 N14 O5
• Calculated formula: C52 H70 B3 F12 Fe2 N14 O5
• Title of publication: Functional Mononitrosyl Diiron(II) Complex Mediates the Reduction of NO to N₂O with Relevance for Flavodiiron NO Reductases.
• Authors of publication: Jana, Manish; Pal, Nabhendu; White, Corey J.; Kupper, Claudia; Meyer, Franc; Lehnert, Nicolai; Majumdar, Amit
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 41
• Pages of publication: 14380 - 14383
• a: 11.6141 ± 0.0017 Å
• b: 16.5066 ± 0.0018 Å
• c: 17.648 ± 0.003 Å
• α: 85.169 ± 0.005°
• β: 85.229 ± 0.006°
• γ: 70.914 ± 0.004°
• Cell volume: 3180.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.1718
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.2867
• Weighted residual factors for all reflections included in the refinement: 0.3495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No