Information card for entry 7128173

Structure parameters

• Formula: C44 H33 Cl2 F3 Fe2 O9 P2 S2
• Calculated formula: C44 H33 Cl2 F3 Fe2 O9 P2 S2
• Title of publication: CO substitution by PPh₃ in Fe₂S₂(CO)₆ proceeds via a novel Fe₂S intermediate.
• Authors of publication: Zhang, Fanjun; Woods, Toby J.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 41
• Pages of publication: 5079 - 5081
• a: 17.9842 ± 0.0007 Å
• b: 18.0922 ± 0.0007 Å
• c: 15.4453 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5025.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No