Information card for entry 7000803

Structure parameters

• Formula: C28 H42 Br4 Cl6 N6 Pd2
• Calculated formula: C28 H42 Br4 Cl6 N6 Pd2
• SMILES: C1(N(c2ccccc2N1C(C)C)C(C)C)=[Pd]([NH2][NH2][Pd](=C1N(c2ccccc2N1C(C)C)C(C)C)(Br)Br)(Br)Br.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 18.1241 ± 0.0009 Å
• b: 26.0307 ± 0.0012 Å
• c: 9.1762 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4329.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No