Information card for entry 2020211

Structure parameters

• Chemical name: <i>trans</i>-Dicarbonyldichlorido(4,5-diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)
• Formula: C13 H6 Cl2 N2 O3 Ru
• Calculated formula: C13 H6 Cl2 N2 O3 Ru
• SMILES: [Ru]1(Cl)(Cl)([n]2cccc3c2c2[n]1cccc2C3=O)(C#[O])C#[O]
• Title of publication: Synthesis and structures of ruthenium di- and tricarbonyl complexes derived from 4,5-diazafluoren-9-one
• Authors of publication: Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 6.5589 ± 0.0002 Å
• b: 16.9199 ± 0.0006 Å
• c: 12.7585 ± 0.0005 Å
• α: 90°
• β: 100.69°
• γ: 90°
• Cell volume: 1391.31 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No