Information card for entry 1518708

Structure parameters

• Formula: C56 H57 Cl3 La N15 O12
• Calculated formula: C56 Cl3 La N15 O12
• SMILES: [La]123456([N](Cc7n(c8ccccc8[n]17)C)(Cc1n(c7ccccc7[n]21)C)Cc1n(c2ccccc2[n]31)C)[N](Cc1n(c2ccccc2[n]41)C)(Cc1n(c2ccccc2[n]51)C)Cc1n(c2ccccc2[n]61)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#C[C]
• Title of publication: Preparation and characterization of lanthanides(III) complexes with polybenzimidazole ligands. Crystal structure of bis[tris(N-methyl-1-benzimidazol-2-yl)-amine]lanthanum(III) perchlorate monoacetonitrile solvate
• Authors of publication: Liu Jiacheng; Song Zhigang; Wang Liufang; Zhuang Jinzhong; Huang Xiaoying
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 90 - 94
• a: 12.882 ± 0.004 Å
• b: 21.1 ± 0.006 Å
• c: 22.706 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6172 ± 3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No