Information card for entry 7056376

Structure parameters

• Formula: C21 H17 Cl3 N4 O2 Ru
• Calculated formula: C21 H17 Cl3 N4 O2 Ru
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Ru](Cl)(Cl)(N=O)([n]12)[n]34)c1ccccc1.[Cl-].O
• Title of publication: Photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes with phenyl substituted terpyridines
• Authors of publication: Amabilino, Silvia; Tasse, Marine; Lacroix, Pascal G.; Mallet-Ladeira, Sonia; Pimienta, Véronique; Akl, Joëlle; Sasaki, Isabelle; Malfant, Isabelle
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 7371 - 7383
• a: 28.016 ± 0.0014 Å
• b: 8.6148 ± 0.0005 Å
• c: 20.3292 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4906.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No