Information card for entry 2241459

Structure parameters

• Chemical name: Pentakis(μ-carbonyl-κ^2^<i>C</i>:<i>C</i>)tetrakis(triphenylphosphane-κ<i>P</i>)tetrapalladium(5 <i>Pd</i>—<i>Pd</i>) tetrahydrofuran disolvate
• Formula: C85 H76 O7 P4 Pd4
• Calculated formula: C85 H76 O7 P4 Pd4
• SMILES: C1(=O)[Pd]234(C(=O)[Pd]5673(C(=O)[Pd]3147(C(=O)[Pd]263(C5=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1.C1CCCO1
• Title of publication: Crystal structure of a Pd~4~ carbonyl triphenylphosphane cluster [Pd~4~(CO)~5~(PPh~3~)~4~]·2C~4~H~8~O, comparing solvates
• Authors of publication: Robeyns, Koen; Willocq, Christopher; Tinant, Bernard; Devillers, Michel; Hermans, Sophie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 120 - 123
• a: 27.254 ± 0.009 Å
• b: 16.016 ± 0.006 Å
• c: 17.938 ± 0.007 Å
• α: 90°
• β: 105.92 ± 0.02°
• γ: 90°
• Cell volume: 7530 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes