Information card for entry 7229546

Structure parameters

• Formula: C38 H38 Cd N6 O8 S2
• Calculated formula: C38 H38 Cd N6 O8 S2
• Title of publication: Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds
• Authors of publication: Singh, Neetu; Singh, Udai P.; Butcher, Ray J.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.6261 ± 0.001 Å
• b: 9.6647 ± 0.0009 Å
• c: 10.2254 ± 0.001 Å
• α: 81.045 ± 0.005°
• β: 87.123 ± 0.005°
• γ: 85.792 ± 0.005°
• Cell volume: 936.45 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No