Information card for entry 4329175

Structure parameters

• Formula: C73 H45 Cl3 Eu Fe2 N12 O0
• Calculated formula: C73 H45 Cl3 Eu Fe2 N12
• SMILES: C1=c2ccc3=C(c4ccc5=Cc6ccc7C(=c8ccc1[n]8[Eu]189(n23)([n]45)(n67)[n]2c3=Nc4c5c(c(N=c6c7c(c(N=c%10c%11c(c(=Nc2c2c3cccc2)n1%10)cccc%11)[n]86)cccc7)n94)cccc5)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12.C(Cl)(Cl)Cl
• Title of publication: Ferrocene-Decorated (Phthalocyaninato)(Porphyrinato) Double- and Triple-Decker Rare Earth Complexes: Synthesis, Structure, and Electrochemical Properties
• Authors of publication: Peihua Zhu; Xiuwen Zhang; Hailong Wang; Yuexing Zhang; Yongzhong Bian; Jianzhuang Jiang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5651 - 5659
• a: 14.0455 ± 0.0009 Å
• b: 14.6373 ± 0.0008 Å
• c: 16.2622 ± 0.0009 Å
• α: 104.895 ± 0.005°
• β: 93.267 ± 0.005°
• γ: 116.198 ± 0.006°
• Cell volume: 2842.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No