Information card for entry 4306425

Structure parameters

• Common name: [(dppQ)Ru(Cl)2] (1)
• Formula: C44 H32 Cl2 N2 O2 P2 Ru
• Calculated formula: C44 H32 Cl2 N2 O2 P2 Ru
• SMILES: [Ru]123(Cl)(Cl)[P](c4c(C(=O)N2c2ccccc2N3C(=O)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc4)(c1ccccc1)c1ccccc1
• Title of publication: Facile Ligand Oxidation and Ring Nitration in Ruthenium Complexes Derived from a Ligand with Dicarboxamide-N and Phosphine-P Donors
• Authors of publication: Nicole L. Fry; Michael J. Rose; Crystal Nyitray; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11604 - 11610
• a: 12.8868 ± 0.0015 Å
• b: 15.8457 ± 0.0018 Å
• c: 18.982 ± 0.002 Å
• α: 90°
• β: 105.959 ± 0.002°
• γ: 90°
• Cell volume: 3726.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1274
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No