Information card for entry 7219482

Structure parameters

• Formula: C86 H46 Cl18 Dy N16
• Calculated formula: C86 H46 Cl18 Dy N16
• SMILES: [Dy]123456([n]7c8=Nc9n3c(N=c3[n]2c(N=c2n1c(=Nc7c1c8cccc1)c1ccccc21)c1ccccc31)c1ccccc91)n1c2C(=c3[n]6c(C(=c6n5c(=C(c5[n]4c(=C(c1cc2)c1ccc(cc1)C#N)cc5)c1ccc(cc1)C#N)cc6)c1ccc(cc1)C#N)cc3)c1ccc(cc1)C#N.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Influence of Porphyrin Meso-attached Substituent on the SMM Behavior of Dysprosium(III) Double-deckers with Mixed Tetrapyrrole Ligands
• Authors of publication: Jiang, Jianzhuang; Cao, Wei; Wang, Kang; Zhang, Yuehong; Wang, Hailong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 41.811 ± 0.002 Å
• b: 16.9262 ± 0.0005 Å
• c: 27.4218 ± 0.0015 Å
• α: 90°
• β: 119.425 ± 0.007°
• γ: 90°
• Cell volume: 16903 ± 1.8 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No