Information card for entry 7208216

Structure parameters

• Formula: C84 H92 N14 O28 Sm2
• Calculated formula: C84 H92 N14 O28 Sm2
• SMILES: c1cccc(CNC2c3ccccc3OCCN(Cc3ccccc3)CCOc3ccccc3C(NCc3ccccc3)=[O][Sm]345([O]=N(=O)O3)([O]=N(=O)O4)([O]=N(=O)O5)([O]=C(NCc3ccccc3)c3ccccc3OCCN(Cc3ccccc3)CCOc3c(C(NCc4ccccc4)=[O][Sm]456([O]=N(=O)O4)([O]=N(=O)O5)([O]=N(=O)O6)([O]=2)[O]=CN(C)C)cccc3)[O]=CN(C)C)c1
• 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: 16.6358 ± 0.0013 Å
• b: 14.0938 ± 0.0011 Å
• c: 19.7424 ± 0.0017 Å
• α: 90°
• β: 101.88 ± 0.003°
• γ: 90°
• Cell volume: 4529.7 ± 0.6 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: 0.0505
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No