Information card for entry 7002604

Structure parameters

• Formula: C16 H16 Cl2 N4 Pd
• Calculated formula: C16 H16 Cl2 N4 Pd
• SMILES: [Pd]1([n]2ccccc2c2cn(n[n]12)c1ccc(cc1)C(C)C)(Cl)Cl
• Title of publication: New 1,2,3-triazole ligands through click reactions and their palladium and platinum complexes
• Authors of publication: Schweinfurth, David; Pattacini, Roberto; Strobel, Sabine; Sarkar, Biprajit
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 9291
• a: 6.8228 ± 0.0002 Å
• b: 18.1883 ± 0.0006 Å
• c: 27.2193 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3377.78 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No