Information card for entry 7021465

Structure parameters

• Formula: C26 H30 Cl2 N4 O2 Ru
• Calculated formula: C26 H30 Cl2 N4 O2 Ru
• SMILES: [Ru](Cl)(Cl)([n]1ccccc1)([n]1ccccc1)([NH2][C@@H](Cc1ccccc1)C(=O)OCC)[n]1ccccc1
• Title of publication: Phenylalanine - a biogenic ligand with flexible η(6)- and η(6):κ(1)-coordination at ruthenium(ii) centres.
• Authors of publication: Reiner, Thomas; Jantke, Dominik; Miao, Xiao-He; Marziale, Alexander N.; Kiefer, Florian J.; Eppinger, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8692 - 8703
• a: 9.0078 ± 0.0018 Å
• b: 9.5536 ± 0.0019 Å
• c: 31.245 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2688.8 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No