Information card for entry 4116663

Structure parameters

• Formula: C79 H78 B2 Cl2 F8 O2 P4 Pd3
• Calculated formula: C79 H60 B2 Cl2 F8 P4 Pd3
• SMILES: C(C)(C)O.[B](F)(F)(F)[F-].[P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Pd]123[P]4(c5ccccc5)([Pd]567891[P](c1ccccc1)(c1ccccc1)([c]16[cH]8[cH]2[cH]3cc1)[Pd]19([P](c2ccccc2)(c2ccccc2)c2ccccc2)[cH]2[cH]7[c]45cc[cH]12)c1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: [Pd3(PPh3)4]2+, a New Palladium Triphenylphosphine Complex
• Authors of publication: S. Kannan; Alan J. James; Paul R. Sharp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 215 - 216
• a: 23.1169 ± 0.0013 Å
• b: 15.0359 ± 0.0008 Å
• c: 21.0036 ± 0.0012 Å
• α: 90°
• β: 108.785 ± 0.001°
• γ: 90°
• Cell volume: 6911.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.1411
• Weighted residual factors for significantly intense reflections: 0.1307
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No