Information card for entry 7006112

Structure parameters

• Formula: C38 H62 Cl2 N4 P2 Pd
• Calculated formula: C38 H62 Cl2 N4 P2 Pd
• SMILES: [P](CN(c1ccccn1)C)([Pd](Cl)([P](CN(c1ccccn1)C)(C1CCCCC1)C1CCCCC1)Cl)(C1CCCCC1)C1CCCCC1
• Title of publication: Steric control over the formation of cis and trans bis-chelated palladium(II) complexes using a new series of flexible N,P pyridyl-phosphine ligands.
• Authors of publication: Clarke, Deborah A.; Miller, Philip W.; Long, Nicholas J.; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4556 - 4564
• a: 21.171 ± 0.004 Å
• b: 20.345 ± 0.004 Å
• c: 9.4447 ± 0.0008 Å
• α: 90°
• β: 104.668 ± 0.012°
• γ: 90°
• Cell volume: 3935.5 ± 1.1 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: 0.0413
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No