Information card for entry 4083292

Structure parameters

• Formula: C52 H76 P4 Pd2
• Calculated formula: C52 H76 P4 Pd2
• SMILES: [Pd]123[CH](=[CH]1c1c([P]([Pd]45[CH](=[CH]4c4c([P]3(C(C)C)C(C)C)cccc4)c3c([P]5(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C)cccc1)c1c([P]2(C(C)C)C(C)C)cccc1
• Title of publication: Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone
• Authors of publication: Barrett, Brittany J.; Iluc, Vlad M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2565
• a: 12.8344 ± 0.0011 Å
• b: 12.8344 ± 0.0011 Å
• c: 34.222 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5637.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No