Information card for entry 4060774

Structure parameters

• Chemical name: Bis(mu!2$-bis(diphenylphosphino)methane)-(mu!$-1-benzenethiolate)- dichloro-dipalladium
• Formula: C56 H48 Cl2 N0 P4 Pd2 S
• Calculated formula: C56 H48 Cl2 P4 Pd2 S
• SMILES: [Pd]123([P](C[P]([Pd]1(Sc1c2cccc1)(Cl)[P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Ortho-Metalated Benzenethiolate Bridging Dinuclear Palladium(II) Complexes. X-ray Structures of [Sn~2~(μ-C~6~H~4~S)~2~(tBu)~4~] and [Pd~2~(μ-C~6~H~4~S)(μ-dppm)~2~Cl~2~]
• Authors of publication: Cera, Martin; Cerrada, Elena; Laguna, Mariano; Mata, José A.; Teruel, Helena
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 121 - 126
• a: 34.9734 ± 0.0019 Å
• b: 14.0392 ± 0.0008 Å
• c: 27.8062 ± 0.0015 Å
• α: 90°
• β: 127.458 ± 0.001°
• γ: 90°
• Cell volume: 10837.6 ± 1 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 7
• 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: 0.1098
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No