Information card for entry 7006109

Structure parameters

• Formula: C19 H34 B N2 P
• Calculated formula: C19 H34 B N2 P
• SMILES: [BH3][P](CN(c1ncccc1)C)(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: 13.6292 ± 0.0013 Å
• b: 9.5466 ± 0.0007 Å
• c: 15.4193 ± 0.0011 Å
• α: 90°
• β: 90.817 ± 0.007°
• γ: 90°
• Cell volume: 2006 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No