Information card for entry 7717096

Structure parameters

• Formula: C13 H13 Cl F4 N2 O3 S2
• Calculated formula: C13 H13 Cl F4 N2 O3 S2
• Title of publication: (Imidazol-2-ylidene)→ S Coordination Interaction and its Modulation Upon S-Oxidation
• Authors of publication: Mukhopadhyay, Joy; Bharatam, Prasad V.; Sahoo, Subash Chandra
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 7.7328 ± 0.0007 Å
• b: 7.9098 ± 0.0007 Å
• c: 15.8738 ± 0.0009 Å
• α: 82.544 ± 0.006°
• β: 81.102 ± 0.006°
• γ: 67.567 ± 0.009°
• Cell volume: 883.98 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No