Information card for entry 7022491

Structure parameters

• Formula: C32 H35 F3 N2 O3 Ru S
• Calculated formula: C32 H35 F3 N2 O3 Ru S
• SMILES: [Ru]12345678([c]9(/C=[NH+]/Cc%10ccccc%10)[cH]1[cH]2[cH]3[c]49/C=N/Cc1ccccc1)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Metalloligands containing aminofulvene-aldiminate (AFA) ligands and their bimetallic complexes.
• Authors of publication: Bailey, Philip J.; Rahman, Mahmudur; Parsons, Simon; Azhar, Muhammad R.; White, Fraser J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2879 - 2886
• a: 14.3116 ± 0.001 Å
• b: 19.3121 ± 0.0014 Å
• c: 22.0786 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6102.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No