Information card for entry 7001543

Structure parameters

• Formula: C41 H36 Cl5 N2 O7 P Ru
• Calculated formula: C41 H36 Cl5 N2 O7 P Ru
• SMILES: c1cc2c3c(cccc3)O[P]3(Oc4c(c5c(cc4)cccc5)c4c(ccc5c4cccc5)O3)[Ru]34567([c]8([cH]7[cH]6[c]5([cH]4[cH]38)C)C(C)C)([n]2n1C)Cl.C(Cl)(Cl)Cl.[O-]Cl(=O)(=O)=O
• Title of publication: A facile access to a novel bidentate enantiomerically pure P,N-donor ligand
• Authors of publication: Seubert, Christoph K.; Sun, Yu; Thiel, Werner R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 4971 - 4977
• a: 11.4579 ± 0.0002 Å
• b: 15.0138 ± 0.0002 Å
• c: 12.2822 ± 0.0002 Å
• α: 90°
• β: 100.677 ± 0.002°
• γ: 90°
• Cell volume: 2076.29 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No