Information card for entry 7119815

Structure parameters

• Formula: C60 H38 Eu N16 O2
• Calculated formula: C60 H38 Eu N16 O2
• SMILES: [Eu]123456(n7c8N=c9c%10ccccc%10c(N=c%10n4c(=Nc4[n]3c(=Nc7c3c8cccc3)c3c4cccc3)c3c%10cccc3)[n]69)n3c4=Nc6[n]1c(N=c1n5c(=Nc5[n]2c(N=c3c2c4cccc2)ccc5)c2ccccc12)ccc6.OC.OC
• Title of publication: Sandwich rare earth complexes simultaneously involving aromatic phthalocyanine and antiaromatic hemiporphyrazine ligands showing a predominantly aromatic nature.
• Authors of publication: Liu, Wenbo; Pan, Houhe; Wang, Ziqian; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 3765 - 3768
• a: 9.4769 ± 0.0002 Å
• b: 24.0061 ± 0.0004 Å
• c: 21.6073 ± 0.0003 Å
• α: 90°
• β: 100.792 ± 0.002°
• γ: 90°
• Cell volume: 4828.79 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No