Information card for entry 7711040

Structure parameters

• Formula: C118 H102 B2 Br0 F0 Fe N18 O2 P0 Ru0
• Calculated formula: C118 H102 B2 Fe N18 O2
• Title of publication: Synthesis and characterisation of group 8 tris(1-benzyl-1,2,3-triazol-4-yl)-p-anisoylmethane complexes
• Authors of publication: Francis, Samuel; Rice, Craig; Scattergood, Paul A.; Elliott, Paul
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 21.3382 ± 0.0007 Å
• b: 17.6313 ± 0.0005 Å
• c: 25.4672 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9581.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No