Information card for entry 7125728

Structure parameters

• Formula: C4 H12 Cd Cl N O6 S2
• Calculated formula: C4 H12 Cd Cl N O6 S2
• Title of publication: A moisture-stable organosulfonate-based metal-organic framework with intrinsic self-trapped white-light emission.
• Authors of publication: Zhang, Guiyang; Yin, Jinlin; Song, Xueling; Fei, Honghan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1325 - 1328
• a: 8.0898 ± 0.0009 Å
• b: 8.7429 ± 0.0011 Å
• c: 9.3861 ± 0.0011 Å
• α: 113.63 ± 0.004°
• β: 100.423 ± 0.004°
• γ: 106.839 ± 0.004°
• Cell volume: 547.71 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0199
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No