Information card for entry 4131800

Structure parameters

• Formula: C55 H43 Cl3 O2 P2 Ru
• Calculated formula: C55 H43 Cl3 O2 P2 Ru
• SMILES: [Ru](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(/C=C/c1cc2ccccc2c2ccccc12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].C(Cl)Cl
• Title of publication: Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex.
• Authors of publication: Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 51
• Pages of publication: 18484 - 18487
• a: 10.4363 ± 0.0005 Å
• b: 14.945 ± 0.0008 Å
• c: 15.1451 ± 0.0008 Å
• α: 82.763 ± 0.004°
• β: 77.136 ± 0.004°
• γ: 88.273 ± 0.004°
• Cell volume: 2284.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No