Information card for entry 4507292

Structure parameters

• Formula: C18 H18 Ca2 N2 O10 S2
• Calculated formula: C18 H18 Ca2 N2 O10 S2
• Title of publication: Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers
• Authors of publication: Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 326
• a: 10.0704 ± 0.0003 Å
• b: 14.2521 ± 0.0003 Å
• c: 17.5644 ± 0.0006 Å
• α: 90°
• β: 94.281 ± 0.002°
• γ: 90°
• Cell volume: 2513.89 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No