Information card for entry 4325304

Structure parameters

• Formula: C13 H19 Cl2 N3 O2 Ru
• Calculated formula: C13 H19 Cl2 N3 O2 Ru
• SMILES: C1[C]2(C)=[CH]3CC[CH]4=[C]5(C)C[Ru]12345(Cl)(Cl)[N]1=CC(=O)NC(=O)N1
• 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: 12.3933 ± 0.0007 Å
• b: 8.5805 ± 0.0004 Å
• c: 15.8735 ± 0.001 Å
• α: 90°
• β: 95.632 ± 0.003°
• γ: 90°
• Cell volume: 1679.85 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No