Information card for entry 7111510

Structure parameters

• Common name: (Pd(pyriimdine)2)(OCOCH3)2
• Formula: C12 H14 N4 O4 Pd
• Calculated formula: C12 H14 N4 O4 Pd
• SMILES: [Pd]([n]1cnccc1)([n]1cnccc1)(OC(=O)C)OC(=O)C
• Title of publication: Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?
• Authors of publication: Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 4767
• a: 8.523 ± 0.002 Å
• b: 7.595 ± 0.002 Å
• c: 10.564 ± 0.003 Å
• α: 90°
• β: 91.224 ± 0.005°
• γ: 90°
• Cell volume: 683.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No