Information card for entry 7711112

Structure parameters

• Formula: C6 H10 Er N7 O8
• Calculated formula: C6 H10 Er N7 O8
• Title of publication: S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks
• Authors of publication: Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 5.6936 ± 0.0001 Å
• b: 12.0266 ± 0.0003 Å
• c: 17.6197 ± 0.0004 Å
• α: 90°
• β: 90.867 ± 0.001°
• γ: 90°
• Cell volume: 1206.36 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No