Information card for entry 7225939

Structure parameters

• Formula: C15 H19 Gd N8 O10
• Calculated formula: C15 H19 Gd N8 O10
• SMILES: [Gd]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: 9.8238 ± 0.0006 Å
• b: 10.5226 ± 0.0006 Å
• c: 11.6761 ± 0.0007 Å
• α: 100.699 ± 0.001°
• β: 111.474 ± 0.001°
• γ: 92.982 ± 0.001°
• Cell volume: 1094.13 ± 0.11 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: 0.0248
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No