Information card for entry 4333492

Structure parameters

• Formula: C87 H55 Cl4 N O11 P4 Pd2 S4
• Calculated formula: C87 H55 Cl4 N O11 P4 Pd2 S4
• SMILES: [Pd]1(P2(=O)Oc3ccc4ccccc4c3[S]1c1c(O2)ccc2c1cccc2)([P]1(Oc2ccc3ccccc3c2Sc2c(O1)ccc1c2cccc1)N([P]1([Pd]2(P3(=O)Oc4c([S]2c2c(O3)ccc3c2cccc3)c2ccccc2cc4)Cl)Oc2ccc3ccccc3c2Sc2c(O1)ccc1c2cccc1)c1ccccc1)Cl.C(Cl)Cl.O
• Title of publication: Highly Air-Stable Anionic Mononuclear and Neutral Binuclear Palladium(II) Complexes for C−C and C−N Bond-Forming Reactions
• Authors of publication: Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11316 - 11327
• a: 13.854 ± 0.002 Å
• b: 17.168 ± 0.002 Å
• c: 21.344 ± 0.003 Å
• α: 80.24 ± 0.01°
• β: 72.42 ± 0.01°
• γ: 74.73 ± 0.01°
• Cell volume: 4646.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No