Information card for entry 7129824

Structure parameters

• Formula: C12 H10 Cd1.493 Cl O2 S2
• Calculated formula: C12 H10 Cd1.493 Cl O2 S2
• Title of publication: Fluorescence sensing of nitrophenol explosives using a two-dimensional organic-metal chalcogenide fully covered with functional groups.
• Authors of publication: Pan, Yu; Wang, Chengpeng; Fu, Zhihua; Wang, Guang-E; Xu, Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 29
• Pages of publication: 4615 - 4618
• a: 16.5869 ± 0.0007 Å
• b: 11.9546 ± 0.0005 Å
• c: 14.0741 ± 0.0007 Å
• α: 90°
• β: 109.534 ± 0.005°
• γ: 90°
• Cell volume: 2630.1 ± 0.2 ų
• Cell temperature: 99.98 ± 0.13 K
• Ambient diffraction temperature: 99.98 ± 0.13 K
• Number of distinct elements: 6
• 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: 0.21
• Residual factor for significantly intense reflections: 0.1976
• Weighted residual factors for significantly intense reflections: 0.4901
• Weighted residual factors for all reflections included in the refinement: 0.4979
• Goodness-of-fit parameter for all reflections included in the refinement: 2.1568
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: micro-focusmetaljet
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No