Information card for entry 7036978

Structure parameters

• Formula: C8 H14 I N S
• Calculated formula: C8 H14 I N S
• Title of publication: A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.
• Authors of publication: Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2138 - 2147
• a: 12.0281 ± 0.0014 Å
• b: 7.7753 ± 0.0009 Å
• c: 11.5619 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1081.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No