Information card for entry 4347140

Structure parameters

• Formula: C27 H36 Fe2 N6 S2
• Calculated formula: C27 H36 Fe2 N6 S2
• Title of publication: Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6.
• Authors of publication: Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3401 - 3412
• a: 16.3918 ± 0.0006 Å
• b: 11.3097 ± 0.0005 Å
• c: 8.0218 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1487.13 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No