Information card for entry 7025139

Structure parameters

• Formula: C38 H62 N P3 Pd
• Calculated formula: C38 H62 N P3 Pd
• SMILES: c12cc(ccc1N1c3ccc(cc3[P](C(C)C)(C(C)C)[Pd]1([P]2(C(C)C)C(C)C)[P](C1CCCCC1)C1CCCCC1)C)C
• Title of publication: Heterolytic splitting of H-X bonds at a cationic (PNP)Pd center.
• Authors of publication: Gregor, Lauren C.; Chen, Chung-Hsing; Fafard, Claudia M.; Fan, Lei; Guo, Chengyun; Foxman, Bruce M.; Gusev, Dmitry G.; Ozerov, Oleg V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 13
• Pages of publication: 3195 - 3202
• a: 12.1054 ± 0.0008 Å
• b: 12.5938 ± 0.0016 Å
• c: 13.8501 ± 0.0009 Å
• α: 101.203 ± 0.004°
• β: 111.981 ± 0.003°
• γ: 99.265 ± 0.004°
• Cell volume: 1856.2 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No