Information card for entry 7128456

Structure parameters

• Chemical name: C60H120Fe2N16P4Se2
• Formula: C60 H120 Fe2 N16 P4 Se2
• Calculated formula: C60 H120 Fe2 N16 P4 Se2
• Title of publication: Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane complex.
• Authors of publication: Aguirre Quintana, Luis M.; Yang, Yan; Ramanathan, Arun; Jiang, Ningxin; Bacsa, John; Maron, Laurent; La Pierre, Henry S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 54
• Pages of publication: 6664 - 6667
• a: 26.073 ± 0.003 Å
• b: 9.9415 ± 0.0009 Å
• c: 27.859 ± 0.002 Å
• α: 90°
• β: 103.714 ± 0.003°
• γ: 90°
• Cell volume: 7015.3 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No