Information card for entry 7038865

Structure parameters

• Formula: C13 H20 Cl2 In N O3 S
• Calculated formula: C13 H20 Cl2 In N O3 S
• SMILES: [In]1(Cl)(Sc2n(=[O]1)cccc2)(Cl)([O]1CCCC1)[O]1CCCC1
• Title of publication: O,S-Heterocyclic stannylenes: synthesis and reactivity.
• Authors of publication: Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7200 - 7204
• a: 12.6099 ± 0.0016 Å
• b: 9.8845 ± 0.0013 Å
• c: 14.1146 ± 0.0017 Å
• α: 90°
• β: 99.243 ± 0.002°
• γ: 90°
• Cell volume: 1736.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No