Information card for entry 7000766

Structure parameters

• Formula: C72 H78 Cl3 Eu N16 O13
• Calculated formula: C72 H78 Cl3 Eu N16 O13
• SMILES: [Eu]123456([N](Cc7[n]1c1ccccc1n7CC=C)(Cc1[n]2c2ccccc2n1CC=C)Cc1[n]3c2ccccc2n1CC=C)[N](Cc1[n]4c2ccccc2n1CC=C)(Cc1[n]5c2ccccc2n1CC=C)Cc1[n]6c2ccccc2n1CC=C.N#CC.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CCO
• Title of publication: Structural and photoluminescent studies of lanthanide complexes with tripodal triRNTB (N-substituted tris(benzimidazol-2-ylmethyl)amine): ligand substituent, anionic and secondary ligand effects
• Authors of publication: Pan, Mei; Zheng, Xiang-Li; Liu, Yu; Liu, Wei-Sheng; Su, Cheng-Yong
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 12
• Pages of publication: 2157 - 2169
• a: 13.3153 ± 0.0001 Å
• b: 23.3369 ± 0.0002 Å
• c: 23.648 ± 0.0003 Å
• α: 90°
• β: 91.852 ± 0.001°
• γ: 90°
• Cell volume: 7344.49 ± 0.13 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No