Information card for entry 4070385

Structure parameters

• Chemical name: Zirconium Amdie Cylic O complex
• Formula: C28 H81 N6 O2 Si8 Zr2
• Calculated formula: C28 H82 N6 O2 Si8 Zr2
• SMILES: C1[Si](C)(C)N([Si](C)(C)C)[Zr]2(N([Si](C)(C)C)[Si](C)(C)C)(N(C)C)[O]3C[Si](C)(C)N([Si](C)(C)C)[Zr]3(N([Si](C)(C)C)[Si](C)(C)C)(N(C)C)[O]12
• Title of publication: Reactions of Oxygen with Metallaheterocyclic Alkyl Amide Complexes. Selective Insertion of Oxygen into Metal−Carbon Bonds
• Authors of publication: Yu, Xianghua; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6642
• a: 15.113 ± 0.01 Å
• b: 17.835 ± 0.012 Å
• c: 18.047 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4864 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No