Information card for entry 7704744

Structure parameters

• Formula: C39 H27 F6 N6 O2 P Ru
• Calculated formula: C39 H27 F6 N6 O2 P Ru
• SMILES: [Ru]123([n]4c(cc(cc4c4[n]1cccc4)c1c4c(cccc4)cc4c1cccc4)c1[n]2cccc1)([n]1ccccc1c1[n]3cccc1)N(=O)=O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Near-IR light-induced photorelease of nitric oxide (NO) on ruthenium nitrosyl complexes: formation, reactivity, and biological effects.
• Authors of publication: Giri, Bishnubasu; Saini, Taruna; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Misra, Ashish; Maji, Somnath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 31
• Pages of publication: 10772 - 10785
• a: 15.9066 ± 0.0004 Å
• b: 22.4041 ± 0.0006 Å
• c: 14.3001 ± 0.0003 Å
• α: 90°
• β: 90.642 ± 0.002°
• γ: 90°
• Cell volume: 5095.9 ± 0.2 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No