Information card for entry 4084973

Structure parameters

• Formula: C30 H34 N2 O2 Pd
• Calculated formula: C30 H34 N2 O2 Pd
• SMILES: [Pd]1(Oc2c(ccc3c2c(OC)ccc3)C=[N]1c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C
• Title of publication: Steric and Electronic Effects in Ethene/Norbornene Copolymerization by Neutral Salicylaldiminato-Ligated Palladium(II) Catalysts
• Authors of publication: Pong, Frances Y.; Mandal, Sukhendu; Sen, Ayusman
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7044
• a: 9.3297 ± 0.0014 Å
• b: 10.5642 ± 0.0016 Å
• c: 14.77 ± 0.002 Å
• α: 101.59 ± 0.002°
• β: 91.832 ± 0.002°
• γ: 104.375 ± 0.002°
• Cell volume: 1376.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0526
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No