Information card for entry 2008296

Structure parameters

• Chemical name: Aquatriphenyl-μ-(N,N-3-oxapentamethylenethiocarbamoylthioacetato)tin- triphenyl(N,N-3-oxapentametheylenethiocarbamoylthioacetato)tin
• Formula: C50 H52 N2 O7 S4 Sn2
• Calculated formula: C50 H52 N2 O7 S4 Sn2
• SMILES: [Sn](OC(=[O][Sn](OC(=O)CSC(=S)N1CCOCC1)(c1ccccc1)(c1ccccc1)c1ccccc1)CSC(=S)N1CCOCC1)([OH2])(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)
• Authors of publication: Ng, Seik Weng; Hook, James M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 312 - 316
• a: 9.6433 ± 0.0006 Å
• b: 21.545 ± 0.002 Å
• c: 25.366 ± 0.002 Å
• α: 101.73 ± 0.006°
• β: 93.312 ± 0.005°
• γ: 96.534 ± 0.006°
• Cell volume: 5108.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes