Information card for entry 4060773

Structure parameters

• Chemical name: Ditertbuthyl-bis(mu!2$-bis(1-benzenethiolate)tin(IV)
• Formula: C28 H44 S2 Sn2
• Calculated formula: C28 H44 S2 Sn2
• SMILES: [Sn]1(Sc2c([Sn](c3c(S1)cccc3)(C(C)(C)C)C(C)(C)C)cccc2)(C(C)(C)C)C(C)(C)C
• 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: 10.5408 ± 0.0009 Å
• b: 14.7314 ± 0.0012 Å
• c: 19.6027 ± 0.0016 Å
• α: 90°
• β: 92.902 ± 0.002°
• γ: 90°
• Cell volume: 3040 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No