Information card for entry 7126202

Structure parameters

• Formula: C39 H51 Fe2 N4 O20.5 S2
• Calculated formula: C39 H51 Fe2 N4 O20.5 S2
• Title of publication: Ferracyclic carbonyl complexes as anti-inflammatory agents.
• Authors of publication: Wright, Mark A.; Wooldridge, Tyler; O'Connell, Maria A; Wright, Joseph A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 31
• Pages of publication: 4300 - 4303
• a: 23.8608 ± 0.0007 Å
• b: 13.3771 ± 0.0005 Å
• c: 15.4092 ± 0.0005 Å
• α: 90°
• β: 101.705 ± 0.003°
• γ: 90°
• Cell volume: 4816.2 ± 0.3 ų
• Cell temperature: 139.9 ± 0.8 K
• Ambient diffraction temperature: 139.9 ± 0.8 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No