Information card for entry 2016364

Structure parameters

• Chemical name: tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^4^N:S;κ^4^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate
• Formula: C29 H18 Cl2 N4 Pd2 S8
• Calculated formula: C28 H16 N4 Pd2 S8
• SMILES: c12[n](c3ccccc3s2)[Pd]234[n]5c(sc6c5cccc6)S[Pd]4(S1)([n]1c(S2)sc2c1cccc2)[n]1c(S3)sc2c1cccc2
• 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: 7.4255 ± 0.0004 Å
• b: 10.1954 ± 0.0009 Å
• c: 11.1581 ± 0.0009 Å
• α: 77.129 ± 0.003°
• β: 86.933 ± 0.005°
• γ: 72.384 ± 0.005°
• Cell volume: 784.8 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes