Information card for entry 7247424

Structure parameters

• Formula: C16 H22 Cd N4 O6 S4
• Calculated formula: C16 H22 Cd N4 O6 S4
• Title of publication: Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties
• Authors of publication: Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 40
• Pages of publication: 5673 - 5681
• a: 5.73025 ± 0.00007 Å
• b: 8.1274 ± 0.00011 Å
• c: 12.86566 ± 0.00018 Å
• α: 74.1108 ± 0.0012°
• β: 89.5736 ± 0.0011°
• γ: 84.1958 ± 0.0011°
• Cell volume: 573.204 ± 0.014 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0346
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No