Information card for entry 7119816

Structure parameters

• Formula: C53 H32 Eu N16 O
• Calculated formula: C53 H32 Eu N16 O
• SMILES: [Eu]123456([n]7c8N=c9n4c(=Nc4[n]1c(N=c1c%10c(c(=Nc7ccc8)n61)cccc%10)ccc4)c1c9cccc1)[n]1c4cccc1N=c1n3c(=Nc3[n]2c(N=c2n5c(=N4)c4c2cccc4)ccc3)c2ccccc12.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: 9.2221 ± 0.0002 Å
• b: 20.0308 ± 0.0003 Å
• c: 22.9016 ± 0.0004 Å
• α: 90°
• β: 99.274 ± 0.002°
• γ: 90°
• Cell volume: 4175.22 ± 0.13 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: 0.0399
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No