Information card for entry 7031194

Structure parameters

• Formula: C24 H26 I2 N8 O2 Pd
• Calculated formula: C24 H26 I2 N8 O2 Pd
• SMILES: c1ccccc1n1c(c(CO)[n+](C)n1)[Pd](c1c(CO)[n+](C)nn1c1ccccc1)(I)I.CC#N.C(#N)C
• Title of publication: Facile base-free in situ generation and palladation of mesoionic and normal N-heterocyclic carbenes at ambient conditions.
• Authors of publication: Sureshbabu, Bemineni; Ramkumar, Venkatachalam; Sankararaman, Sethuraman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10710 - 10712
• a: 7.664 ± 0.0003 Å
• b: 17.9545 ± 0.0009 Å
• c: 21.5137 ± 0.001 Å
• α: 90°
• β: 92.956 ± 0.002°
• γ: 90°
• Cell volume: 2956.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No