Information card for entry 7020377

Structure parameters

• Formula: C66 H65 B N5 O12 Tb Zn2
• Calculated formula: C66 H65 B N5 O12 Tb Zn2
• SMILES: [Tb]12345678([O]9[Zn]%10%11([O]2c2c([O]1C)cccc2C=[N]%10CC[N]%11=Cc1c9c([O]4C)ccc1)[O]=C(O3)C)[O]1[Zn]23([O]6c4c([O]5C)cccc4C=[N]2CC[N]3=Cc2c1c([O]8C)ccc2)[O]=C(O7)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Correlation between slow magnetic relaxation and the coordination structures of a family of linear trinuclear Zn(ii)-Ln(iii)-Zn(ii) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb).
• Authors of publication: Maeda, Moe; Hino, Shiori; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 44
• Pages of publication: 13640 - 13648
• a: 18.335 ± 0.004 Å
• b: 9.5267 ± 0.0018 Å
• c: 34.804 ± 0.007 Å
• α: 90°
• β: 95.83 ± 0.003°
• γ: 90°
• Cell volume: 6048 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: Molybdenum
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No