Information card for entry 7020284

Structure parameters

• Formula: C24 H30 N5 O15 Tb V
• Calculated formula: C24 H30 N5 O15 Tb V
• SMILES: [Tb]123456([O]7[V]89([O]1c1c([O]3C)cccc1C=[N]9CC(C[N]8=Cc1c7c([O]2C)ccc1)(C)C)([O]=C(C)C)=O)([O]=N(=O)O4)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: Exchange coupling in TbCu and DyCu single-molecule magnets and related lanthanide and vanadium analogs.
• Authors of publication: Ishida, Takayuki; Watanabe, Ryo; Fujiwara, Kei; Okazawa, Atsushi; Kojima, Norimichi; Tanaka, Go; Yoshii, Shunsuke; Nojiri, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 44
• Pages of publication: 13609 - 13619
• a: 9.911 ± 0.003 Å
• b: 17.547 ± 0.004 Å
• c: 18.243 ± 0.009 Å
• α: 90°
• β: 105.524 ± 0.004°
• γ: 90°
• Cell volume: 3056.9 ± 1.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No