Information card for entry 4087509

Structure parameters

• Common name: jonlm11
• Chemical name: (dippe)PdCl2
• Formula: C14 H32 Cl2 P2 Pd
• Calculated formula: C14 H32 Cl2 P2 Pd
• SMILES: C1[P](C(C)C)(C(C)C)[Pd](Cl)([P](C1)(C(C)C)C(C)C)Cl
• Title of publication: Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment
• Authors of publication: Munjanja, Lloyd; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1716
• a: 14.308 ± 0.005 Å
• b: 14.308 ± 0.005 Å
• c: 18.642 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3816 ± 2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No