Information card for entry 7024649

Structure parameters

• Formula: C18 H17 Cl2 N2 P Pd
• Calculated formula: C18 H17 Cl2 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(Cc2ncccc2)Cc2[n]1cccc2
• 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: 15.217 ± 0.0005 Å
• b: 13.7873 ± 0.0006 Å
• c: 18.4593 ± 0.0007 Å
• α: 90°
• β: 109.818 ± 0.002°
• γ: 90°
• Cell volume: 3643.4 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No