Information card for entry 7007728

Structure parameters

• Formula: C60 H56 F6 N4 P Tl
• Calculated formula: C60 H56 F6 N4 P Tl
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Tl]12([N](c3c(cc(cc3C)C)C)=C3C(=[N]2c2c(cc(cc2C)C)C)c2cccc4cccc3c24)[N](c2c(cc(cc2C)C)C)=C2C(=[N]1c1c(cc(cc1C)C)C)c1cccc3cccc2c13
• Title of publication: Complexes of 1,2-bis(aryl-imino)acenaphthene (Ar-BIAN) ligands with some heavy p-block elements.
• Authors of publication: Hill, Nicholas J.; Reeske, Gregor; Moore, Jennifer A.; Cowley, Alan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 40
• Pages of publication: 4838 - 4844
• a: 26.501 ± 0.005 Å
• b: 26.501 ± 0.005 Å
• c: 14.814 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10404 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No