Information card for entry 7019596

Structure parameters

• Formula: C35 H50 N4 O2 Pd
• Calculated formula: C35 H50 N4 O2 Pd
• SMILES: [Pd]1(=C2N(C=CN2CN2C=1N(C=C2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Reaction of carbon dioxide with a palladium-alkyl complex supported by a bis-NHC framework.
• Authors of publication: Ariyananda, Piyal W. G.; Yap, Glenn P. A.; Rosenthal, Joel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7977 - 7983
• a: 14.176 ± 0.004 Å
• b: 8.709 ± 0.002 Å
• c: 27.584 ± 0.007 Å
• α: 90°
• β: 93.076 ± 0.005°
• γ: 90°
• Cell volume: 3400.6 ± 1.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No