Information card for entry 7023621

Structure parameters

• Formula: C66 H60 Gd2 N6 O15
• Calculated formula: C66 H60 Gd2 N6 O15
• SMILES: COc1cccc2c1O[Gd]1345([N](=C2)c2ccccc2[N]1=Cc1cccc(c1O3)OC)([O](C)c1cccc2c1[O]4[Gd]13467([N](=C2)c2ccccc2[N]1=Cc1cccc(c1[O]54)OC)[N](=Cc1cccc(c1O7)OC)c1ccccc1[N]3=Cc1cccc(c1O6)OC)[OH2].O.O
• Title of publication: Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.
• Authors of publication: Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15355 - 15360
• a: 21.8735 ± 0.0013 Å
• b: 12.4022 ± 0.0007 Å
• c: 23.739 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6439.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No