Information card for entry 7105478

Structure parameters

• Formula: C23 H32 Gd N
• Calculated formula: C23 H32 Gd N
• SMILES: C1[Gd]23456789(C[CH]3=[CH2]2)([CH2]=[CH]14)[N](c1c([c]25[c]6([c]7([c]8([c]92C)C)C)C)cccc1)(C)C
• Title of publication: Living catalyzed-chain-growth polymerization and block copolymerization of isoprene by rare-earth metal allyl precursors bearing a constrained-geometry-conformation ligand.
• Authors of publication: Jian, Zhongbao; Cui, Dongmei; Hou, Zhaomin; Li, Xiaofang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 3022 - 3024
• a: 8.7876 ± 0.0006 Å
• b: 18.6815 ± 0.0012 Å
• c: 13.0273 ± 0.0008 Å
• α: 90°
• β: 98.386 ± 0.001°
• γ: 90°
• Cell volume: 2115.8 ± 0.2 ų
• Cell temperature: 186.5 ± 0.2 K
• Ambient diffraction temperature: 186.5 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No