Information card for entry 7024632

Structure parameters

• Formula: C6 H8 Cl2 N4 Pd
• Calculated formula: C6 H8 Cl2 N4 Pd
• SMILES: [n]1([nH]ccc1)[Pd]([n]1ccc[nH]1)(Cl)Cl
• Title of publication: Coordination chemistry of platinum and palladium in the solid-state: synthesis of imidazole and pyrazole complexes.
• Authors of publication: Adams, Christopher J.; Haddow, Mairi F.; Hughes, Robert J. I.; Kurawa, Mukhtar A.; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3714 - 3724
• a: 4.0628 ± 0.0005 Å
• b: 7.2328 ± 0.0007 Å
• c: 8.3661 ± 0.0008 Å
• α: 93.805 ± 0.007°
• β: 99.073 ± 0.006°
• γ: 91.601 ± 0.007°
• Cell volume: 242.05 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No