Information card for entry 4069341

Structure parameters

• Formula: C14 H26 Cl N4 O7 P Pd
• Calculated formula: C14 H26 Cl N4 O7 P Pd
• SMILES: [Pd]1([n]2n(ccc2)Cn2[n]1ccc2)(C)[P](OCC)(OCC)OCC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and Reactivity of Mixed-Ligand Palladium(II) Organometallic Complexes with Phosphites and Bis(pyrazol-1-yl)methane
• Authors of publication: Bortoluzzi, Marco; Paolucci, Gino; Pitteri, Bruno; Vavasori, Andrea; Bertolasi, Valerio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3247
• a: 11.6637 ± 0.0002 Å
• b: 9.5738 ± 0.0002 Å
• c: 19.8507 ± 0.0004 Å
• α: 90°
• β: 96.5022 ± 0.0007°
• γ: 90°
• Cell volume: 2202.39 ± 0.07 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No