Information card for entry 4064450

Structure parameters

• Formula: C26 H24 I2 N4 O2 Pd2
• Calculated formula: C26 H24 I2 N4 O2 Pd2
• SMILES: c1(cccc2c3cccc(C)[n]3[Pd]34(C(=O)[Pd]54(C3=O)(I)[n]3c(cccc3c3cccc(C)[n]53)C)(I)[n]12)C
• Title of publication: Mapping Palladium Reduction by Carbon Monoxide in a Catalytically Relevant System. A Novel Palladium(I) Dimer
• Authors of publication: Ragaini, Fabio; Larici, Heros; Rimoldi, Martino; Caselli, Alessandro; Ferretti, Francesco; Macchi, Piero; Casati, Nicola
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2385
• a: 14.078 ± 0.004 Å
• b: 10.466 ± 0.003 Å
• c: 19.686 ± 0.005 Å
• α: 90°
• β: 90.602 ± 0.003°
• γ: 90°
• Cell volume: 2900.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No