Information card for entry 7225937

Structure parameters

• Formula: C15 H19 N8 O10 Sm
• Calculated formula: C15 H19 N8 O10 Sm
• SMILES: [Sm]12345([n]6c(cc(C)[nH]6)c6cccc(c7cc(C)[nH][n]27)[n]16)(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: 9.8205 ± 0.0015 Å
• b: 10.5371 ± 0.0016 Å
• c: 11.7288 ± 0.0018 Å
• α: 100.895 ± 0.002°
• β: 111.404 ± 0.002°
• γ: 92.993 ± 0.002°
• Cell volume: 1099.8 ± 0.3 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: 0.0315
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No