Information card for entry 7000774

Structure parameters

• Formula: C94 H88 N20 O19 Sm2
• Calculated formula: C94 H88 N20 O19 Sm2
• SMILES: [Sm]123456([N](Cc7[n]1c1ccccc1n7Cc1ccccc1)(Cc1[n]2c2ccccc2n1Cc1ccccc1)Cc1[n]3c2ccccc2n1Cc1ccccc1)(ON(=[O]4)=O)(ON(=[O]5)=O)ON(=[O]6)=O.O(CC)CC
• 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: 16.8614 ± 0.001 Å
• b: 22.5574 ± 0.001 Å
• c: 24.3685 ± 0.001 Å
• α: 90°
• β: 94.169 ± 0.01°
• γ: 90°
• Cell volume: 9244 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1543
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No