Information card for entry 4303199

Structure parameters

• Formula: C128 H152 N16 O4 Y
• Calculated formula: C128 H152 N16 O4 Y
• SMILES: [Y]123456(n7c8=Nc9[n]3c(=Nc3n2c(N=c2[n]1c(N=c7c1c8cccc1OC(CC)CC)c1cccc(OC(CC)CC)c21)c1cccc(OC(CC)CC)c31)c1cccc(OC(CC)CC)c91)[n]1c2=C(c3n6c(C(=c6[n]5c(C(=c5n4c(=C(c1cc2)c1ccc(NCCCCCCCC)cc1)cc5)c1ccc(NCCCCCCCC)cc1)cc6)c1ccc(NCCCCCCCC)cc1)cc3)c1ccc(NCCCCCCCC)cc1
• Title of publication: Mixed (Phthalocyaninato)(Porphyrinato) Rare Earth Double-Decker Complexes with C4 Chirality: Synthesis, Resolution, and Absolute Configuration Assignment
• Authors of publication: Yang Zhou; Yuexing Zhang; Hailong Wang; Jianzhuang Jiang; Yongzhong Bian; Atsuya Muranaka; Nagao Kobayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8925 - 8933
• a: 13.784 ± 0.003 Å
• b: 16.728 ± 0.003 Å
• c: 27.926 ± 0.006 Å
• α: 96.307 ± 0.002°
• β: 103.402 ± 0.001°
• γ: 112.204 ± 0.002°
• Cell volume: 5658 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2472
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No