Information card for entry 2008297

Structure parameters

• Chemical name: Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate)
• Formula: C19 H34 N2 O3 S2
• Calculated formula: C19 H34 N2 O3 S2
• SMILES: C(=O)(CSC(=S)N1CCOCC1)[O-].C1(CCCCC1)[NH2+]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: 20.771 ± 0.001 Å
• b: 9.1734 ± 0.0006 Å
• c: 22.756 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4335.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.107
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes