Information card for entry 7116457

Structure parameters

• Formula: C229 H308 Cl3 Eu2 N20 O16
• Calculated formula: C229 H306 Cl3 Eu2 N20 O16
• SMILES: [Eu]123456([N]78[Eu]9%10%11%12%13([N]%144C4=C(C%15=[N]59C(=C(C5[N]6%11C(C(=C7C=CC=8C=%14C=C4)c4ccc(Cl)cc4)=CC=5)c4ccc(Cl)cc4)C=C%15)c4ccc(Cl)cc4)n4c5=Nc6[n]%12c(=Nc7n%13c(N=c8[n]%10c(N=c4c4c5cc(OCCCCCCCC)c(OCCCCCCCC)c4)c4cc(OCCCCCCCC)c(OCCCCCCCC)cc84)c4cc(OCCCCCCCC)c(OCCCCCCCC)cc74)c4cc(OCCCCCCCC)c(OCCCCCCCC)cc64)[n]4c5=Nc6n3c(N=c3[n]2c(N=c2n1c(=Nc4c1c5cc(OCCCCCCCC)c(OCCCCCCCC)c1)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc21)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc31)c1cc(OCCCCCCCC)c(OCCCCCCCC)cc61
• Title of publication: A new class of rare earth tetrapyrrole sandwich complexes containing corrole and phthalocyanine macrocycles: synthesis, physicochemical characterization and X-ray analysis
• Authors of publication: Guifen Lu; Sen Yan; Mengying Shi; Wenhan Yu; Jing Li; Weihua Zhu; Zhongping Ou; Karl M. Kadish
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 2411
• a: 19.854 ± 0.004 Å
• b: 24.158 ± 0.005 Å
• c: 25.212 ± 0.005 Å
• α: 99.59 ± 0.03°
• β: 106.63 ± 0.03°
• γ: 106.33 ± 0.03°
• Cell volume: 10710 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.1208
• Weighted residual factors for significantly intense reflections: 0.3465
• Weighted residual factors for all reflections included in the refinement: 0.3804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No