Information card for entry 4336243

Structure parameters

• Formula: C19 H14 Cl2 N2 O6 Ru S
• Calculated formula: C19 H14 Cl2 N2 O6 Ru S
• SMILES: [Ru]12([S](c3c([N]1=Cc1[n]2c2c(cc1)cccc2)cccc3)C)(Cl)(C#[O])C#[O].Cl(=O)(=O)(=O)[O-]
• Title of publication: Photoactivity of Mono- and Dicarbonyl Complexes of Ruthenium(II) Bearing an N,N,S-Donor Ligand: Role of Ancillary Ligands on the Capacity of CO Photorelease
• Authors of publication: Margarita A. Gonzalez; Samantha J. Carrington; Indranil Chakraborty; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11320 - 11331
• a: 13.8529 ± 0.0006 Å
• b: 9.3341 ± 0.0004 Å
• c: 16.2461 ± 0.0007 Å
• α: 90°
• β: 95.685 ± 0.001°
• γ: 90°
• Cell volume: 2090.36 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.051
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No