Information card for entry 7036375

Structure parameters

• Formula: C34 H36 I2 N3 O P Pd
• Calculated formula: C34 H36 I2 N3 O P Pd
• SMILES: [Pd](I)(I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1[n+](nn(c1C1(O)CCCCC1)C)Cc1ccccc1
• 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: 15.928 ± 0.004 Å
• b: 16.099 ± 0.004 Å
• c: 26.191 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6716 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.409
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No