Information card for entry 7208220

Structure parameters

• Formula: C84 H92 N14 O28 Pr2
• Calculated formula: C84 H92 N14 O28 Pr2
• SMILES: C1(c2ccccc2OCCN(CCOc2ccccc2C(NCc2ccccc2)=[O][Pr]234(ON(=[O]2)=O)([O]=CN(C)C)(ON(=O)=[O]4)([O]=N(=O)O3)[O]=C(c2ccccc2OCCN(CCOc2c(C(NCc3ccccc3)=[O][Pr]345(ON(=[O]3)=O)([O]=CN(C)C)(ON(=O)=[O]5)(ON(=[O]4)=O)[O]=1)cccc2)Cc1ccccc1)NCc1ccccc1)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: 16.7358 ± 0.0003 Å
• b: 14.0425 ± 0.0003 Å
• c: 19.7825 ± 0.0004 Å
• α: 90°
• β: 101.823 ± 0.001°
• γ: 90°
• Cell volume: 4550.5 ± 0.16 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: 0.0469
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No