Information card for entry 7001541

Structure parameters

• Formula: C32 H24 Cl2 N3 O3 P Pd
• Calculated formula: C32 H24 Cl2 N3 O3 P Pd
• SMILES: c1cc2c3c(cccc3)O[P]3(Oc4c(c5c(cc4)cccc5)c4c(ccc5c4cccc5)O3)[Pd]([n]2n1C)(Cl)Cl.CC#N
• 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: 8.0871 ± 0.0003 Å
• b: 13.8105 ± 0.0005 Å
• c: 13.5808 ± 0.0004 Å
• α: 90°
• β: 100.325 ± 0.003°
• γ: 90°
• Cell volume: 1492.24 ± 0.09 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: 0.0235
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No