Information card for entry 7039262

Structure parameters

• Formula: C9 H14 Cl3 N6 O P S3
• Calculated formula: C9 H12 Cl3 N6 O P S3
• SMILES: P(c1sc([nH+]c1)N)(c1sc([nH+]c1)N)c1sc([nH+]c1)N.O.[Cl-].[Cl-].[Cl-]
• Title of publication: Thiazoyl phosphines. Design, reactivity, and complexation.
• Authors of publication: Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9695 - 9703
• a: 15.0238 ± 0.0016 Å
• b: 11.6122 ± 0.001 Å
• c: 20.9195 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3649.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0951
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1163
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No