Information card for entry 7031098

Structure parameters

• Formula: C50 H41 F12 N7 O P2 Ru
• Calculated formula: C50 H41 F12 N7 O P2 Ru
• SMILES: [Ru]123([n]4c(cccc4)c4[n]1c1c(n4Cc4c5ccccc5cc5ccccc45)cccc1)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.
• Authors of publication: Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 3678 - 3688
• a: 22.253 ± 0.007 Å
• b: 8.776 ± 0.003 Å
• c: 26.835 ± 0.013 Å
• α: 90°
• β: 113.88 ± 0.02°
• γ: 90°
• Cell volume: 4792 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2293
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No