Information card for entry 7024655

Structure parameters

• Common name: Ls15
• Chemical name: Ls15
• Formula: C18 H17 Br2 N2 P Pd
• Calculated formula: C18 H17 Br2 N2 P Pd
• SMILES: [Pd]1([P](Cc2[n]1cccc2)(Cc1ncccc1)c1ccccc1)(Br)Br
• Title of publication: Palladium and iridium complexes with a N,P,N-bis(pyridine)phenylphosphine ligand.
• Authors of publication: Liu, Shaofeng; Peloso, Riccardo; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2563 - 2572
• a: 15.3788 ± 0.0005 Å
• b: 14.0532 ± 0.0006 Å
• c: 18.7832 ± 0.0005 Å
• α: 90°
• β: 110.209 ± 0.002°
• γ: 90°
• Cell volume: 3809.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No