Information card for entry 7124548

Structure parameters

• Formula: C58 H78 F12 N10 O6 P2 Ru
• Calculated formula: C40 H42 F12 N10 P2 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: 40.9186 ± 0.0005 Å
• b: 12.999 ± 0.0002 Å
• c: 19.2466 ± 0.0002 Å
• α: 90°
• β: 116.184 ± 0.001°
• γ: 90°
• Cell volume: 9186.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No