Information card for entry 7014604

Structure parameters

• Formula: C32 H27 Cl Ni P2
• Calculated formula: C32 H27 Cl Ni P2
• SMILES: [Ni]12(Cl)[P](Cc3c2c(ccc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A recyclable perfluoroalkylated PCP pincer palladium complex.
• Authors of publication: Duncan, Daniel; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 1998 - 2005
• a: 10.146 ± 0.004 Å
• b: 15.988 ± 0.007 Å
• c: 16.899 ± 0.007 Å
• α: 90°
• β: 105.768 ± 0.008°
• γ: 90°
• Cell volume: 2638.1 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1308
• 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