Information card for entry 7038866

Structure parameters

• Formula: C5 H4 Cl N O S Sn
• Calculated formula: C5 H4 Cl N O S Sn
• SMILES: [Sn]1(Sc2n(=[O]1)cccc2)Cl
• 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: 5.9142 ± 0.0014 Å
• b: 7.4252 ± 0.0018 Å
• c: 9.479 ± 0.002 Å
• α: 79.27 ± 0.004°
• β: 72.376 ± 0.004°
• γ: 82.595 ± 0.005°
• Cell volume: 388.62 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No