Information card for entry 7712342

Structure parameters

• Formula: C39 H61 B N7 O2 Si3 Y
• Calculated formula: C39 H61 B N7 O2 Si3 Y
• SMILES: [Y]123(N([Si](C)(C)C)[Si](/C(=C/[SiH2]c4ccccc4)O1)(C)C)([O]1CCCC1)[n]1n(c(C)cc1C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C.c1(ccccc1)C
• Title of publication: Selective Si−C(sp3) Bond Cleavage of Silyl−Bridged Amido Alkyl Ligand in an Yttrium Complex
• Authors of publication: Cai, Jiamin; Zhang, Jie; Zhou, Xigeng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 17.3751 ± 0.0011 Å
• b: 15.4894 ± 0.001 Å
• c: 16.8249 ± 0.001 Å
• α: 90°
• β: 93.992 ± 0.003°
• γ: 90°
• Cell volume: 4517.1 ± 0.5 ų
• Cell temperature: 173.01 K
• Ambient diffraction temperature: 173.01 K
• Number of distinct elements: 7
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No