Information card for entry 4346956

Structure parameters

• Common name: Gd2(C3H3N4O2)4(NO3)2(C10N2H8)2
• Chemical name: 'Gd2(C3H3N4O2)4(NO3)2(C10N2)2'
• Formula: C32 H28 Gd2 N22 O14
• Calculated formula: C32 H28 Gd2 N22 O14
• SMILES: c1n(CC2[O]3[Gd]45678(ON(=[O]4)=O)([n]4ccccc4c4[n]5cccc4)[O](C(Cn4cnnn4)=[O]6)[Gd]453([O]=2)([O]=C(Cn2cnnn2)O8)(OC(Cn2cnnn2)=[O]7)(ON(=[O]4)=O)[n]2ccccc2c2cccc[n]52)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: 9.5016 ± 0.0002 Å
• b: 20.2306 ± 0.0004 Å
• c: 11.9949 ± 0.0002 Å
• α: 90°
• β: 108.778 ± 0.001°
• γ: 90°
• Cell volume: 2182.97 ± 0.07 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: 0.0596
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No