Information card for entry 7229547

Structure parameters

• Formula: C36 H37 Cd N6 Na O10 S
• Calculated formula: C36 H37 Cd N6 Na O10 S
• 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: 10.304 ± 0.003 Å
• b: 10.679 ± 0.003 Å
• c: 18.996 ± 0.004 Å
• α: 79.775 ± 0.015°
• β: 76.308 ± 0.015°
• γ: 70.154 ± 0.014°
• Cell volume: 1899.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1054
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No