Information card for entry 4070570

Structure parameters

• Formula: C19 H30 Cl4 N2 P2 Pd
• Calculated formula: C19 H30 Cl4 N2 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P@@](c2nc3ccccc3nc2[P@]1(C)C(C)(C)C)(C)C(C)(C)C.ClCCl
• Title of publication: Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP
• Authors of publication: Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 218
• a: 7.9252 ± 0.0001 Å
• b: 15.1396 ± 0.0003 Å
• c: 10.4448 ± 0.0002 Å
• α: 90°
• β: 99.015 ± 0.001°
• γ: 90°
• Cell volume: 1237.73 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No