Information card for entry 7225935

Structure parameters

• Formula: C15 H19 N8 O10 Pr
• Calculated formula: C15 H19 N8 O10 Pr
• SMILES: [Pr]12345([n]6c(c7cccc(c8cc(C)[nH][n]28)[n]17)cc(C)[nH]6)(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=[O]5)=O)[OH]CC
• 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: 9.8334 ± 0.0006 Å
• b: 10.5636 ± 0.0007 Å
• c: 11.8353 ± 0.0008 Å
• α: 101.147 ± 0.001°
• β: 111.309 ± 0.001°
• γ: 93.068 ± 0.001°
• Cell volume: 1113.4 ± 0.13 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: 0.0325
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0686
• 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