Information card for entry 2016365

Structure parameters

• Chemical name: tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^6^N:S;κ^2^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate
• Formula: C29 H18 Cl2 N4 Pd2 S8
• Calculated formula: C28 H16 N4 Pd2 S8
• SMILES: [Pd]1234[Pd](Sc5sc6c([n]25)cccc6)(Sc2sc5c([n]32)cccc5)(Sc2sc3c([n]42)cccc3)[n]2c(S1)sc1c2cccc1
• Title of publication: Two isomers of Pd~2~(S~2~NC~7~H~4~)~4~
• Authors of publication: Vuoti, Sauli; Haukka, Matti; Pursiainen, Jouni
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m601 - m603
• a: 17.2484 ± 0.0002 Å
• b: 18.0383 ± 0.0003 Å
• c: 18.7816 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5843.55 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes