Information card for entry 1544283

Structure parameters

• Formula: C31 H23.5 Cl2 F6 N5.5 O P Ru
• Calculated formula: C31 H23.5 Cl2 F6 N5.5 O P Ru
• SMILES: [Ru]12(Cl)(Cl)(N=O)[n]3ccccc3c3[n]1c(cc(c3)c1cc3Cc4ccccc4c3cc1)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: trans- and cis-(Cl,Cl)-[Ru(II)(FT)Cl2(NO)](PF6): promising candidates for NO release in the NIR region.
• Authors of publication: Akl, Joelle; Sasaki, Isabelle; Lacroix, Pascal G.; Hugues, Vincent; Vicendo, Patricia; Bocé, Mathilde; Mallet-Ladeira, Sonia; Blanchard-Desce, Mireille; Malfant, Isabelle
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2016
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 1484 - 1491
• a: 7.2084 ± 0.0006 Å
• b: 11.366 ± 0.0009 Å
• c: 20.0517 ± 0.0016 Å
• α: 74.296 ± 0.003°
• β: 80.187 ± 0.003°
• γ: 87.543 ± 0.003°
• Cell volume: 1558.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No