Information card for entry 4303200

Structure parameters

• Formula: C128 H152 Ho N16 O4
• Calculated formula: C128 H152 Ho N16 O4
• SMILES: c12=Nc3c4c(cccc4c4=Nc5c6c(c7n5[Ho]589%10([n]%11c(c%12c(c(ccc%12)OC(CC)CC)c%11=N7)N=c(c7c1cccc7OC(CC)CC)n25)([n]34)[n]1c2C(=c3ccc(=C(c4ccc(=C(c5ccc(C(=c1cc2)c1ccc(cc1)NCCCCCCCC)n%105)c1ccc(cc1)NCCCCCCCC)[n]94)c1ccc(cc1)NCCCCCCCC)n83)c1ccc(cc1)NCCCCCCCC)cccc6OC(CC)CC)OC(CC)CC
• 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: 13.771 ± 0.003 Å
• b: 16.777 ± 0.004 Å
• c: 27.932 ± 0.007 Å
• α: 96.396 ± 0.004°
• β: 103.21 ± 0.004°
• γ: 112.077 ± 0.004°
• Cell volume: 5681 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1621
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2848
• Weighted residual factors for all reflections included in the refinement: 0.3279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No