Information card for entry 7105471

Structure parameters

• Formula: C29 H29 I2 N2 P Pd
• Calculated formula: C29 H29 I2 N2 P Pd
• SMILES: [Pd](I)(I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(N(c2c1cccc2)CC)CC
• Title of publication: Versatile coordination chemistry of indazole-derived carbenes.
• Authors of publication: Jothibasu, Ramasamy; Huynh, Han Vinh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 2986 - 2988
• a: 11.4399 ± 0.001 Å
• b: 15.6813 ± 0.0014 Å
• c: 16.1726 ± 0.0014 Å
• α: 90°
• β: 99.776 ± 0.002°
• γ: 90°
• Cell volume: 2859.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No