Information card for entry 4343463

Structure parameters

• Formula: C42 H38 F8 P4 Pd
• Calculated formula: C42 H38 F8 P4 Pd
• SMILES: [Pd]([P](C)(C)C)([P](C)(C)C)(c1c(P(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F)c1c(P(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F
• Title of publication: Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.
• Authors of publication: Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6947 - 6957
• a: 8.3661 ± 0.0008 Å
• b: 16.8911 ± 0.0017 Å
• c: 27.685 ± 0.003 Å
• α: 90°
• β: 94.591 ± 0.002°
• γ: 90°
• Cell volume: 3899.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No