Information card for entry 7128305

Structure parameters

• Formula: C58 H46 Cd N3 O7 S
• Calculated formula: C58 H46 Cd N3 O7 S
• Title of publication: Sunlight assisted SCSC dimerization of a 1D coordination polymer impacts the selectivity of Pd(II) sensing in water.
• Authors of publication: Mir, Mohammad Hedayetullah; Bera, Sambhunath; Khan, Samim; Maity, Suvendu; Sinha, Chittaranjan; Dutta, Basudeb
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 50
• Pages of publication: 6197 - 6200
• a: 11.0879 ± 0.0019 Å
• b: 13.986 ± 0.002 Å
• c: 15.953 ± 0.003 Å
• α: 83.286 ± 0.005°
• β: 73.056 ± 0.005°
• γ: 79.719 ± 0.005°
• Cell volume: 2323 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No