Information card for entry 7208218

Structure parameters

• Formula: C84 H92 N14 O28 Tb2
• Calculated formula: C84 H92 N14 O28 Tb2
• SMILES: C(N(C)C)=[O][Tb]1234(ON(=[O]1)=O)([O]=N(=O)O2)([O]=N(=O)O3)[O]=C(c1ccccc1OCCN(CCOc1ccccc1C(NCc1ccccc1)=[O][Tb]123(ON(=[O]1)=O)([O]=N(=O)O2)([O]=N(=O)O3)([O]=C(c1ccccc1OCCN(CCOc1c(C(NCc2ccccc2)=[O]4)cccc1)Cc1ccccc1)NCc1ccccc1)[O]=CN(C)C)Cc1ccccc1)NCc1ccccc1
• Title of publication: Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes
• Authors of publication: Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4989
• a: 16.5638 ± 0.0002 Å
• b: 14.0683 ± 0.0002 Å
• c: 19.7449 ± 0.0003 Å
• α: 90°
• β: 102.227 ± 0.001°
• γ: 90°
• Cell volume: 4496.68 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No