Information card for entry 7027595

Structure parameters

• Formula: C30 H25 F12 N7 P2 Ru
• Calculated formula: C30 H25 F12 N7 P2 Ru
• SMILES: [Ru]123([n]4c(ccnc4C)c4[n]1cccc4)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: New ruthenium(II) heteroleptic complexes containing the 4-(2-pyridyl)pyrimidine ligand with amine and amino acid substituents
• Authors of publication: Aït-Haddou, Hassan; Bejan, Elena; Daran, Jean-Claude; Balavoine, Gilbert G. A.; Berruyer-Penaud, Florence; Bonazzola, Lydia; Smaoui-Chaabouni, Henda; Amouyal, Edmond
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 3095
• a: 12.2871 ± 0.0017 Å
• b: 10.5692 ± 0.0012 Å
• c: 25.1 ± 0.004 Å
• α: 90°
• β: 95.266 ± 0.017°
• γ: 90°
• Cell volume: 3245.8 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No