Information card for entry 7712296

Structure parameters

• Formula: C29 H44 Cu3 N3 O26 Tb
• Calculated formula: C29 H44 Cu3 N3 O26 Tb
• SMILES: [Cu]123([O]=C(C=C4C5[O]6[Cu]7([O]=C(C=5)C)([O]=C(C=C5C8[O]9[Cu]%10([O]=C(C=8)C)([O]=C(C=C8C([O]2[Tb]2%1169([O]14)([O]75)([O]%108)(ON(=[O]2)=O)ON(=[O]%11)=O)=CC(=[O]3)C)C)[OH]C)C)[OH]C)C)[OH]C.O=N(=O)[O-].OC.OC
• Title of publication: Tetranuclear [Cu₃Ln] complexes derived from a tetraketone-type ligand.
• Authors of publication: Shiga, Takuya; Miyamoto, Haruka; Okamoto, Yukiko; Oshio, Hiroki; Mihara, Nozomi; Nihei, Masayuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 8.9281 ± 0.0008 Å
• b: 27.15 ± 0.002 Å
• c: 17.918 ± 0.0017 Å
• α: 90°
• β: 103.52 ± 0.001°
• γ: 90°
• Cell volume: 4222.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No