Information card for entry 4068166

Structure parameters

• Formula: C30 H48 N4 Pd2
• Calculated formula: C30 H48 N4 Pd2
• SMILES: [Pd]123([Pd]4([CH](C1)=[CH2]4)(C[CH]2=[CH2]3)=C1N(C=CN1C(C)C)C(C)C)=C1N(C=CN1C(C)C)C(C)C.c1ccccc1
• Title of publication: Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers
• Authors of publication: Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 470
• a: 9.6253 ± 0.0012 Å
• b: 21.282 ± 0.003 Å
• c: 16.505 ± 0.002 Å
• α: 90°
• β: 102.982 ± 0.003°
• γ: 90°
• Cell volume: 3294.6 ± 0.7 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No