Information card for entry 7054098

Structure parameters

• Formula: C119 H91 Cl2 N14 O7 Y3
• Calculated formula: C119 H91 Cl2 N14 O7 Y3
• SMILES: [Y]123456([O]7[Y]8(Cl)([O]4C(=[N]6c4cccc6ccc(nc46)C)c4ccccc4)([n]4c(C)ccc6cccc([N]8=C(O2)c2ccccc2)c46)(Cl)[N](c2cccc4ccc(nc24)C)=C7c2ccccc2)OC(=[N]2[Y]467([O]1C(=[N]7c1cccc7ccc(nc17)C)c1ccccc1)([n]1c(C)ccc7cccc([N]6=C(O4)c4ccccc4)c17)([O]3C(=[N]5c1cccc3ccc(nc13)C)c1ccccc1)[n]1c(C)ccc3cccc2c13)c1ccccc1
• Title of publication: Trimetallic yttrium N-(2-methylquinolin-8-yl)benzamides: synthesis, structure and use in ring-opening polymerization (ROP) of ε-caprolactone
• Authors of publication: Zhang, Wenjuan; Liu, Shaofeng; Sun, Wen-Hua; Hao, Xiang; Redshaw, Carl
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 11
• Pages of publication: 2392
• a: 17.022 ± 0.003 Å
• b: 27.254 ± 0.006 Å
• c: 26.995 ± 0.005 Å
• α: 90°
• β: 93.55 ± 0.03°
• γ: 90°
• Cell volume: 12499 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1553
• Residual factor for significantly intense reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.2674
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No