Information card for entry 7034126

Structure parameters

• Formula: C71 H82 Cl5 N8 O16 Tb3
• Calculated formula: C71 H64 Cl5 N8 O16 Tb3
• SMILES: [Tb]123([O](c4c([O]5C)cc(cc4c4[nH]c6c([n]34)cccc6)CC=C)[Tb]53467([O](c5c([O]4C)cc(cc5c4[nH]c5c([n]84)cccc5)CC=C)[Tb]48([O]3c3c([O]4C)cc(cc3c3[nH]c4c([n]63)cccc4)CC=C)([OH]C)(Cl)Cl)([O]1c1c([O]2C)cc(cc1c1[nH]c2c([n]71)cccc2)CC=C))([OH2])(Cl)Cl.OC.O.O.OC.O.O.[Cl-]
• Title of publication: The first example of Tb3-containing metallopolymer-type hybrid materials with efficient and high color-purity green luminescence.
• Authors of publication: Zhang, Zhao; Feng, Heini; Liu, Lin; Yu, Chao; Lü, Xingqiang; Zhu, Xunjin; Wong, Wai-Kwok; Jones, Richard A.; Pan, Mei; Su, Chengyong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6229 - 6241
• a: 16.089 ± 0.015 Å
• b: 17.155 ± 0.017 Å
• c: 18.684 ± 0.019 Å
• α: 71.523 ± 0.016°
• β: 80.787 ± 0.019°
• γ: 62.199 ± 0.015°
• Cell volume: 4326 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.248
• Weighted residual factors for all reflections included in the refinement: 0.3223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No