Information card for entry 1566051

Structure parameters

• Formula: C36 H22 Cl3 F3 N3 O7 Tb
• Calculated formula: C36 H22 Cl3 F3 N3 O7 Tb
• SMILES: [Tb]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)(OC(=[O]3)c1c(Cl)cc(F)cc1)(OC(=[O]4)c1c(Cl)cc(F)cc1)(OC(=O)c1c(Cl)cc(F)cc1)[OH2]
• Title of publication: Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine
• Authors of publication: Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2022
• Journal volume: 305
• Pages of publication: 122633
• a: 11.08 ± 0.0012 Å
• b: 13.9401 ± 0.0014 Å
• c: 14.1602 ± 0.0015 Å
• α: 76.98 ± 0.002°
• β: 89.35 ± 0.003°
• γ: 68.201 ± 0.001°
• Cell volume: 1972.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2492
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No