Information card for entry 2242086

Structure parameters

• Chemical name: <i>cis</i>-Dicarbonyl-<i>trans</i>-dichlorido(4'-chloro-2,2':6',2''-terpyridine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)ruthenium(II)
• Formula: C17 H10 Cl3 N3 O2 Ru
• Calculated formula: C17 H10 Cl3 N3 O2 Ru
• SMILES: [Ru]1(Cl)(Cl)([n]2c(c3ncccc3)cc(Cl)cc2c2[n]1cccc2)(C#[O])C#[O]
• Title of publication: Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand
• Authors of publication: Tatikonda, Rajendhraprasad; Haukka, Matti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 556 - 559
• a: 7.3019 ± 0.0003 Å
• b: 8.508 ± 0.0003 Å
• c: 14.7702 ± 0.0006 Å
• α: 101.287 ± 0.003°
• β: 91.835 ± 0.003°
• γ: 98.144 ± 0.003°
• Cell volume: 889.08 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No