Information card for entry 7036371

Structure parameters

• Formula: C35 H38 I2 N3 O P Pd
• Calculated formula: C35 H38 I2 N3 O P Pd
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pd](c1n(Cc2ccccc2)n[n+](c1C1(CCCCC1)O)CC)(I)I
• Title of publication: Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.
• Authors of publication: Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17617 - 17628
• a: 16.1205 ± 0.0003 Å
• b: 16.2538 ± 0.0005 Å
• c: 26.3092 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6893.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No