Information card for entry 4084829

Structure parameters

• Formula: C53 H78 N5 O2 Y
• Calculated formula: C53 H78 N5 O2 Y
• SMILES: [Y]1234(Oc5c(cc(cc5C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)CC[N]3(C)C)C(C)(C)C)C(C)(C)C)[N](=C(N4C(C)C)N(c1ccccc1)c1ccccc1)C(C)C
• Title of publication: Synthesis and Characterization of Amine-Bridged Bis(phenolate) Yttrium Guanidinates and Their Application in the Ring-Opening Polymerization of 1,4-Dioxan-2-one
• Authors of publication: Zeng, Tinghua; Wang, Yaorong; Shen, Qi; Yao, Yingming; Luo, Yunjie; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6803
• a: 11.063 ± 0.0006 Å
• b: 27.6063 ± 0.0016 Å
• c: 17.3168 ± 0.0011 Å
• α: 90°
• β: 99.283 ± 0.002°
• γ: 90°
• Cell volume: 5219.4 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.1417
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.2542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No