Information card for entry 4325299

Structure parameters

• Formula: C19 H23 Cl N2 O Ru
• Calculated formula: C19 H23 Cl N2 O Ru
• SMILES: C1[C]2(C)=[CH]3CC[CH]4=[C]5(C[Ru]612345(Cl)[n]1c(cc[nH]1)c1ccccc1O6)C
• Title of publication: Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State
• Authors of publication: Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4868 - 4881
• a: 8.8541 ± 0.0001 Å
• b: 13.8896 ± 0.0001 Å
• c: 29.3729 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3612.28 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No