Information card for entry 1504420

Structure parameters

• Formula: C31 H45 Ho N2 Si2
• Calculated formula: C31 H45 Ho N2 Si2
• SMILES: [Ho]12345([c]6([cH]1[cH]2[c]13cccc[c]461)CCN1C=5N(C=C1)c1c(cc(cc1C)C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Highly 3,4-Selective Living Polymerization of Isoprene with Rare Earth Metal Fluorenyl N-Heterocyclic Carbene Precursors
• Authors of publication: Wang, Baoli; Cui, Dongmei; Lv, Kui
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1983
• a: 10.5662 ± 0.0007 Å
• b: 23.2337 ± 0.0014 Å
• c: 13.8856 ± 0.0009 Å
• α: 90°
• β: 107.19 ± 0.001°
• γ: 90°
• Cell volume: 3256.5 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.024
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No