Information card for entry 1544284

Structure parameters

• Formula: C30 H22 Cl2 N5 O3.5 Ru
• Calculated formula: C30 H22 Cl2 N5 O3.5 Ru
• SMILES: [Ru]12(Cl)(Cl)([N]#CC)[n]3ccccc3c3[n]1c(cc(c3)c1cc3Cc4ccccc4c3cc1)c1[n]2cccc1.O=N(=O)[O-].O
• 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: 10.8118 ± 0.0012 Å
• b: 11.8295 ± 0.0011 Å
• c: 12.3991 ± 0.0014 Å
• α: 103.956 ± 0.005°
• β: 108.342 ± 0.005°
• γ: 101.033 ± 0.005°
• Cell volume: 1398 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No