Information card for entry 7000800

Structure parameters

• Formula: C28 H44 Br2 N4 Pd2
• Calculated formula: C28 H44 Br2 N4 Pd2
• SMILES: [Pd](=[Pd](Br)(C#[N]C1CCCCC1)C#[N]C1CCCCC1)(Br)(C#[N]C1CCCCC1)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: 15.2383 ± 0.0006 Å
• b: 23.7826 ± 0.0009 Å
• c: 10.3642 ± 0.0004 Å
• α: 90°
• β: 123.432 ± 0.001°
• γ: 90°
• Cell volume: 3134.6 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No