Information card for entry 4346957

Structure parameters

• Common name: Tb2(C3H3N4O2)4(NO3)2(C10N2H8)2
• Chemical name: 'Tb2(C3H3N4O2)4(NO3)2(C10N2)2'
• Formula: C32 H28 N22 O14 Tb2
• Calculated formula: C32 H28 N22 O14 Tb2
• SMILES: c1n(CC2[O]3[Tb]4567([O]=2)([O]=C(Cn2cnnn2)O[Tb]2893([O]6C(Cn3cnnn3)=[O]2)([O]=C(Cn2cnnn2)O7)(ON(=[O]8)=O)[n]2ccccc2c2cccc[n]92)(ON(=[O]4)=O)[n]2ccccc2c2[n]5cccc2)nnn1
• Title of publication: Anion Effects on Lanthanide(III) Tetrazole-1-acetate Dinuclear Complexes Showing Slow Magnetic Relaxation and Photofluorescent Emission.
• Authors of publication: Lu, Ying-Bing; Jiang, Xiao-Ming; Zhu, Shui-Dong; Du, Zi-Yi; Liu, Cai-Ming; Xie, Yong-Rong; Liu, Liang-Xian
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3738 - 3749
• a: 9.4897 ± 0.0002 Å
• b: 20.1798 ± 0.0005 Å
• c: 11.9862 ± 0.0003 Å
• α: 90°
• β: 108.852 ± 0.001°
• γ: 90°
• Cell volume: 2172.23 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No