Information card for entry 7000805

Structure parameters

• Formula: C20 H29 Br2 N3 Pd
• Calculated formula: C20 H29 Br2 N3 Pd
• SMILES: [Pd](Br)(Br)(=C1N(c2ccccc2N1C(C)C)C(C)C)C#[N]C1CCCCC1
• Title of publication: Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles
• Authors of publication: Han, Yuan; Huynh, Han Vinh
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 12
• Pages of publication: 2201 - 2209
• a: 10.1903 ± 0.0007 Å
• b: 13.3919 ± 0.0009 Å
• c: 17.0572 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No