Information card for entry 7128463

Structure parameters

• Formula: C42 H47 F30 Fe2 N21 O P5
• Calculated formula: C42 H47 F30 Fe2 N21 O P5
• Title of publication: Mimicking reactive high-valent diiron-<i>μ</i>₂-oxo intermediates of nonheme enzymes by an iron tetracarbene complex.
• Authors of publication: Schlachta, Tim P.; Anneser, Markus R.; Schlagintweit, Jonas F.; Jakob, Christian H. G.; Hintermeier, Carolin; Böth, Alexander D; Haslinger, Stefan; Reich, Robert M.; Kühn, Fritz E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 54
• Pages of publication: 6644 - 6647
• a: 12.1708 ± 0.0003 Å
• b: 12.6323 ± 0.0003 Å
• c: 23.6169 ± 0.0005 Å
• α: 92.998 ± 0.001°
• β: 93.518 ± 0.001°
• γ: 115.272 ± 0.001°
• Cell volume: 3264.86 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0558
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No