Information card for entry 4343462

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(c(c(c1F)F)F)F)c1c(P(c2ccccc2)c2ccccc2)c(F)c(c(c1F)F)F
• 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: 11.2653 ± 0.0007 Å
• b: 11.6614 ± 0.0007 Å
• c: 16.0442 ± 0.001 Å
• α: 81.084 ± 0.001°
• β: 80.112 ± 0.001°
• γ: 85.959 ± 0.001°
• Cell volume: 2049.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No