Information card for entry 4350014

Structure parameters

• Formula: C45 H56 Cl2 N9 O16 Sm
• Calculated formula: C45 H56 Cl2 N9 O16 Sm
• SMILES: [Sm]1234567([O]=C(NCCCC)c8[n]4c4c(ccc9c4[n]6c(C(=[O]3)NCCCC)cc9)cc8)([O]=N(=O)O2)[O]=C(NCCCC)c2[n]5c3c(ccc4c3[n]7c(C(=[O]1)NCCCC)cc4)cc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Syntheses, crystal structures and magnetic properties of a series of luminescent lanthanide complexes containing neutral tetradentate phenanthroline-amide ligands
• Authors of publication: Su, Qian-Qian; Fan, Kun; Jin, Xin-Xin; Huang, Xin-Da; Cheng, Shun-Cheung; Luo, Li-Juan; Li, Yao-Jie; Xiang, Jing; Ko, Chi-Chiu; Zheng, Li-Min; Lau, Tai-Chu
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1442
• a: 11.0699 ± 0.0003 Å
• b: 14.8478 ± 0.0005 Å
• c: 17.1169 ± 0.0006 Å
• α: 109.272 ± 0.003°
• β: 104.997 ± 0.003°
• γ: 93.227 ± 0.002°
• Cell volume: 2534.12 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No