Information card for entry 1563242

Structure parameters

• Formula: C64 H60 N10 O20 Tb2
• Calculated formula: C64 H60 N10 O20 Tb2
• SMILES: C1(c2ccc(cc2)NC(=O)C)=[O][Tb]23456(ON(=[O]2)=O)([n]2cccc7ccc8ccc[n]3c8c27)OC(c2ccc(cc2)NC(=O)C)=[O][Tb]237(O1)([n]1cccc8ccc9ccc[n]2c9c18)([O]=C([O]63)c1ccc(NC(=O)C)cc1)([O]5C(=[O]4)c1ccc(NC(=O)C)cc1)ON(=[O]7)=O.CCO.CCO
• Title of publication: Luminescent lanthanide complexes with 4-acetamidobenzoate: Synthesis, supramolecular assembly via hydrogen bonds, crystal structures and photoluminescence
• Authors of publication: Yin, Xia; Fan, Jun; Wang, Zhi Hong; Zheng, Sheng Run; Tan, Jing Bo; Zhang, Wei Guang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 7
• Pages of publication: 1850 - 1857
• a: 10.7612 ± 0.0002 Å
• b: 11.1307 ± 0.0003 Å
• c: 14.3438 ± 0.0003 Å
• α: 76.795 ± 0.001°
• β: 74.513 ± 0.001°
• γ: 82.09 ± 0.002°
• Cell volume: 1606.55 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No