Information card for entry 7027904

Structure parameters

• Formula: C36 H68 Br2 P4 Pd2
• Calculated formula: C36 H68 Br2 P4 Pd2
• SMILES: c1(ccc(cc1)c1ccc(cc1)[Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)[Pd]([P](CC)(CC)CC)([P](CC)(CC)CC)Br
• Title of publication: Dipalladium complexes with a bridging arylene or diarylene ligand. Synthesis and CNR′ and CO insertion into the Pd‒C bonds
• Authors of publication: Kim, Yong-Joo; Song, Sang-Won; Lee, Sang-Chul; Lee, Soon-W.; Osakada, Kohtaro; Yamamoto, Takakazu
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 11
• Pages of publication: 1775
• a: 14.225 ± 0.004 Å
• b: 18.72 ± 0.005 Å
• c: 9.101 ± 0.003 Å
• α: 90°
• β: 107.31 ± 0.02°
• γ: 90°
• Cell volume: 2313.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.087
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.1326
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No