Information card for entry 7135089

Structure parameters

• Formula: C72 H152 F4 Fe2 K2 N8 O12 S4 Si8
• Calculated formula: C69 H150 F3 Fe2 K2 N8 O12 S4 Si8
• Title of publication: The flexible behaviour of a trigonal arylimido iron complex.
• Authors of publication: Gonzalez, Andres; Casnati, Alessandra; Willingshofer, Moritz; Radovic, Aleksa; Cutsail, 3rd, George E; Demeshko, Serhiy; Meyer, Franc; Werncke, C. Gunnar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 93
• Pages of publication: 18440 - 18443
• a: 11.8028 ± 0.0005 Å
• b: 15.389 ± 0.0006 Å
• c: 29.1949 ± 0.0012 Å
• α: 103.183 ± 0.001°
• β: 92.864 ± 0.001°
• γ: 99.764 ± 0.001°
• Cell volume: 5066.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No