Information card for entry 7052974

Structure parameters

• Formula: C21 H30 F12 N6 P2 Ru S3
• Calculated formula: C21 H30 F12 N6 P2 Ru S3
• SMILES: [Ru]12([S]3CC[S]2CC[S]1CC3)([n]1cc(N)ccc1)([n]1cc(ccc1)N)[n]1cc(ccc1)N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Anion receptor coordination tripods capped by [9]ane-S3
• Authors of publication: Todd, Adam M.; Swinburne, Adam N.; Goeta, Andrés E.; Steed, Jonathan W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 1
• Pages of publication: 89
• a: 11.7238 ± 0.0011 Å
• b: 11.7563 ± 0.0011 Å
• c: 13.1508 ± 0.0012 Å
• α: 109.956 ± 0.001°
• β: 94.499 ± 0.002°
• γ: 110.922 ± 0.002°
• Cell volume: 1549.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No