Information card for entry 1513200

Structure parameters

• Formula: C25 H29 Cl P2 Pd
• Calculated formula: C25 H29 Cl P2 Pd
• SMILES: [Pd](Cl)([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)C(=C=C)c1ccccc1
• Title of publication: Synthesis and structures of n1-allenyl and/or -propargyl Pd(II) complexes and their reactivity toward trimethylsilyl pseudohalides, organic thiols, and N-heterocyclic carbene ligands
• Authors of publication: Yong-Joo Kim; Hyun-Kyung Kim; Jung-Hyun Lee; Zhen Nu Zheng; Soon W. Lee
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 54 - 63
• a: 9.2242 ± 0.0003 Å
• b: 9.4337 ± 0.0003 Å
• c: 15.2031 ± 0.0004 Å
• α: 89.97 ± 0.001°
• β: 81.774 ± 0.001°
• γ: 74.289 ± 0.001°
• Cell volume: 1259.41 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No