Information card for entry 7124549

Structure parameters

• Formula: C41 H60 F18 N14 O P3 Ru
• Calculated formula: C41 H60 F18 N14 O P3 Ru
• Title of publication: Near infra-red emission from a mer-Ru(II) complex: consequences of strong σ-donation from a neutral, flexible ligand with dual binding modes.
• Authors of publication: Pal, Amlan K.; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 52
• Pages of publication: 6846 - 6849
• a: 12.3066 ± 0.0001 Å
• b: 12.6126 ± 0.0002 Å
• c: 32.4825 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5041.88 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No