Information card for entry 7225940

Structure parameters

• Formula: C15 H19 N8 O10 Tb
• Calculated formula: C15 H19 N8 O10 Tb
• SMILES: [Tb]12345(ON(=[O]1)=O)([O]=N(=O)O2)(ON(=[O]3)=O)([OH]CC)[n]1[nH]c(C)cc1c1[n]4c(ccc1)c1[n]5[nH]c(c1)C
• Title of publication: Optical detection small biomolecule thiamines of micromolar level by highly luminescent lanthanide complexes with tridentate N-heterocyclic ligand
• Authors of publication: Du, Ning; Gao, Xue; Song, Jian; Wang, Zhi Nan; Xing, Yong Heng; Bai, Fengying; Shi, Zhan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.837 ± 0.001 Å
• b: 10.5202 ± 0.0011 Å
• c: 11.6498 ± 0.0012 Å
• α: 100.558 ± 0.002°
• β: 111.491 ± 0.002°
• γ: 92.907 ± 0.002°
• Cell volume: 1093.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No