Information card for entry 4343474

Structure parameters

• Formula: C54 H35 Au Cl F8 P3 Pd
• Calculated formula: C54 H35 Au Cl F8 P3 Pd
• SMILES: [Pd]12([Au]([P](c3c2c(F)c(F)c(F)c3F)(c2ccccc2)c2ccccc2)c2c([P]1(c1ccccc1)c1ccccc1)c(F)c(F)c(F)c2F)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.1644 ± 0.0006 Å
• b: 13.5493 ± 0.0007 Å
• c: 17.6853 ± 0.0009 Å
• α: 73.943 ± 0.001°
• β: 81.632 ± 0.001°
• γ: 69.843 ± 0.001°
• Cell volume: 2409.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No