Information card for entry 7102520

Structure parameters

• Formula: C18 H31 Cl2 N5 Pd
• Calculated formula: C18 H31 Cl2 N5 Pd
• SMILES: Cl[Pd]12[NH](CCN3C=1N(C=C3)C(C)(C)C)CCN1C=2N(C=C1)C(C)(C)C.[Cl-]
• Title of publication: The synthesis of a di-N-heterocyclic carbene-amido complex of palladium(II).
• Authors of publication: Douthwaite, Richard E; Houghton, Jennifer; Kariuki, Benson M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 698 - 699
• a: 12.5628 ± 0.0015 Å
• b: 10.3135 ± 0.0015 Å
• c: 17.2307 ± 0.0018 Å
• α: 90°
• β: 92.159 ± 0.007°
• γ: 90°
• Cell volume: 2230.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0905
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No