Information card for entry 7229548

Structure parameters

• Formula: C35 H32 Cd N5 O8 S2
• Calculated formula: C35 H32 Cd N5 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: 10.134 ± 0.002 Å
• b: 11.56 ± 0.002 Å
• c: 17.57 ± 0.004 Å
• α: 99.98 ± 0.03°
• β: 104 ± 0.03°
• γ: 108.19 ± 0.03°
• Cell volume: 1826.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No