Information card for entry 7132560

Structure parameters

• Formula: C14 H14 Cd O2 S2
• Calculated formula: C14 H14 Cd O2 S2
• Title of publication: Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers.
• Authors of publication: Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 10
• Pages of publication: 1277 - 1280
• a: 35.4228 ± 0.001 Å
• b: 16.8199 ± 0.0004 Å
• c: 7.2761 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4335.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No