Information card for entry 7020283

Structure parameters

• Formula: C24 H30 Cu Er N5 O14
• Calculated formula: C24 H30 Cu Er N5 O14
• SMILES: [Er]123456([O]7[Cu]89([O]1c1c([O]3C)cccc1C=[N]9CC(C[N]8=Cc1c7c([O]2C)ccc1)(C)C)[O]=C(C)C)(ON(=[O]4)=O)([O]=N(=O)O5)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: 9.635 ± 0.005 Å
• b: 19.833 ± 0.004 Å
• c: 15.689 ± 0.004 Å
• α: 90°
• β: 95.471 ± 0.002°
• γ: 90°
• Cell volume: 2984.4 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0232
• Weighted residual factors for all reflections included in the refinement: 0.0319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No