Information card for entry 2014344

Structure parameters

• Chemical name: Ammonium O,O-dicyclohexyl phosphorodithioate
• Formula: C12 H26 N O2 P S2
• Calculated formula: C12 H26 N O2 P S2
• SMILES: C1(CCCCC1)OP(OC1CCCCC1)(=S)[S-].[NH4+]
• Title of publication: Ammonium <i>O</i>,<i>O</i>-dicyclohexyl phosphorodithioate
• Authors of publication: Mustafa Serkan Soylu; Mehtap Yağan; Nezihe Çalıs̨kan; Bekir Batı; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o145 - o147
• a: 15.0755 ± 0.0011 Å
• b: 10.6965 ± 0.0005 Å
• c: 10.5305 ± 0.0007 Å
• α: 90°
• β: 107.123 ± 0.005°
• γ: 90°
• Cell volume: 1622.83 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No