Information card for entry 4325301

Structure parameters

• Formula: C14 H22 Cl2 N2 Ru
• Calculated formula: C14 H22 Cl2 N2 Ru
• SMILES: C1[C]2(C)=[CH]3CC[CH]4=[C]5(C)C[Ru]12345(Cl)(Cl)[n]1ccc(C)[nH]1
• 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: 7.6952 ± 0.0001 Å
• b: 22.8324 ± 0.0003 Å
• c: 9.0117 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.35 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No