Information card for entry 7233341

Structure parameters

• Formula: C45 H39 Ce N3 O3 S6
• Calculated formula: C45 H39 Ce N3 O3 S6
• Title of publication: Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence
• Authors of publication: Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 42
• Pages of publication: 24110
• a: 15.0364 ± 0.0005 Å
• b: 21.739 ± 0.0008 Å
• c: 25.9182 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8472 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No