Information card for entry 7061636

Structure parameters

• Formula: C28 H44 N2 Na2 O8 S4
• Calculated formula: C28 H44 N2 Na2 O8 S4
• Title of publication: Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence
• Authors of publication: Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 13987 - 13995
• a: 8.7022 ± 0.0004 Å
• b: 8.8311 ± 0.0004 Å
• c: 12.7825 ± 0.0006 Å
• α: 79.4431 ± 0.0015°
• β: 84.418 ± 0.0015°
• γ: 77.5543 ± 0.0015°
• Cell volume: 941.3 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No