Information card for entry 7112783

Structure parameters

• Formula: C25 H27 Cl N4 O2 Pd
• Calculated formula: C25 H27 Cl N4 O2 Pd
• SMILES: c1cc2N3[Pd]([n]4c5c3cccc5ccc4CN(CCOC)CCOC)(Cl)[n]3cccc(c1)c23
• Title of publication: Ligand design for site-selective installation of Pd and Pt centers to generate homo- and heteropolymetallic motifs.
• Authors of publication: Suess, Daniel L. M.; Peters, Jonas C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6554 - 6556
• a: 5.1225 ± 0.0002 Å
• b: 17.5023 ± 0.0007 Å
• c: 24.8571 ± 0.001 Å
• α: 90°
• β: 90.583 ± 0.002°
• γ: 90°
• Cell volume: 2228.46 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No