Information card for entry 4515558

Structure parameters

• Formula: C57 H75 Cl3 Fe3 N6
• Calculated formula: C57 H75 Cl3 Fe3 N6
• Title of publication: Catalytic Silylation of Dinitrogen by a Family of Triiron Complexes.
• Authors of publication: Ferreira, Ricardo B.; Cook, Brian J.; Knight, Brian J.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J.
• Journal of publication: ACS catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 7208 - 7212
• a: 12.6922 ± 0.0005 Å
• b: 13.0313 ± 0.0005 Å
• c: 16.647 ± 0.0006 Å
• α: 76.0639 ± 0.0007°
• β: 84.1498 ± 0.0007°
• γ: 84.0536 ± 0.0007°
• Cell volume: 2649.46 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No