Information card for entry 7251601

Structure parameters

• Formula: C44 H60 F6 Fe2 N6 O9 S2
• Calculated formula: C44 H60 F6 Fe2 N6 O9 S2
• Title of publication: Tetrad or triad? insights from a versatile Fe(ii) structural and functional model of the 3-histidine 1-carboxylate tetrad in C–C bond cleaving dioxygenase enzymes
• Authors of publication: Fadul, Adam; Cundari, Thomas; Bertke, Jeffery; Toledo, Santiago A.
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 8695 - 8708
• a: 16.4628 ± 0.0011 Å
• b: 16.4628 ± 0.0011 Å
• c: 22.7913 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6177 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No