Information card for entry 2006777

Structure parameters

• Common name: Tricyclohexylphosphinecarbondisulfide Tricyclohexylphosphinodithioformate, tricyclohexylphosphoniodithiocarboxylate, tricyclohexylphosphinemethanedithiolate, tricyclohexylphosphinodithiocarbamate, tricyclohexylphosphoniocarbodithioate,
• Chemical name: Tricyclohexylphosphinodithioformate
• Formula: C19 H33 P S2
• Calculated formula: C19 H33 P S2
• SMILES: [S-]C(=S)[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Tricyclohexylphosphoniodithioformate
• Authors of publication: Vittal, Jagadese J.; Dean, Philip A.W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1879 - 1881
• a: 9.515 ± 0.001 Å
• b: 12.782 ± 0.001 Å
• c: 16.467 ± 0.002 Å
• α: 83.94 ± 0.01°
• β: 88.95 ± 0.01°
• γ: 80.68 ± 0.01°
• Cell volume: 1965.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.1139
• Goodness-of-fit parameter for all reflections: 0.978
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No