Information card for entry 1540407

Structure parameters

• Chemical name: NiTbCr
• Formula: C24.63 H20.52 Cr N8 Ni O10.63 Tb
• Calculated formula: C24.63 H20.52 Cr N8 Ni O10.63 Tb
• SMILES: [Tb]123([O]4[Ni]56[O]1c1c([O]2C)cccc1C=[N]5CC[N]6=Cc1cccc(c41)[O]3C)([OH2])([OH2])([OH2])([OH2])[N]#C[Cr](C#N)(C#N)(C#N)(C#N)C#N.O.OC.O
• Title of publication: Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations.
• Authors of publication: Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20193 - 20199
• a: 13.051 ± 0.003 Å
• b: 12.15 ± 0.002 Å
• c: 21.711 ± 0.004 Å
• α: 90°
• β: 106.89 ± 0.03°
• γ: 90°
• Cell volume: 3294.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No