Information card for entry 7055053

Structure parameters

• Formula: C22 H24 Gd N7 Ni O15
• Calculated formula: C22 H24 Gd N7 Ni O15
• SMILES: [Gd]123456([O]7[Ni]89([N](=Cc%10c7c(ccc%10)[O]1C)OCCO[N]8=Cc1cccc(c1[O]39)[O]4C)([N]#CC)[N]#CC)(ON(=[O]5)=O)(ON(=[O]6)=O)ON(=[O]2)=O
• Title of publication: Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue
• Authors of publication: Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 8356
• a: 10.3265 ± 0.0019 Å
• b: 17.115 ± 0.003 Å
• c: 17.194 ± 0.003 Å
• α: 90°
• β: 96.575 ± 0.003°
• γ: 90°
• Cell volume: 3018.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No