Information card for entry 7712177

Structure parameters

• Formula: C40 H34 F12 N8 O2 P2 Ru
• Calculated formula: C40 H34 F12 N8 O2 P2 Ru
• SMILES: c1c[n]2c3c(c1NCCO)ccc1c(cc[n](c31)[Ru]132([n]2cccc4ccc5ccc[n]1c5c24)[n]1cccc2ccc4ccc[n]3c4c12)NCCO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: An aggregation induced emission active bis-heteroleptic ruthenium(II) complex for luminescence light-up detection of pyrophosphate ions.
• Authors of publication: Patra, Sumit Kumar; Rabha, Monosh; Sen, Bhaskar; Aguan, Kripamoy; Khatua, Snehadrinarayan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2592 - 2602
• a: 12.766 ± 0.004 Å
• b: 29.689 ± 0.008 Å
• c: 15.064 ± 0.004 Å
• α: 89.982 ± 0.008°
• β: 101.429 ± 0.008°
• γ: 90.015 ± 0.009°
• Cell volume: 5596 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.4986
• Residual factor for significantly intense reflections: 0.2246
• Weighted residual factors for significantly intense reflections: 0.458
• Weighted residual factors for all reflections included in the refinement: 0.5491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No