Information card for entry 4070384

Structure parameters

• Common name: Zirconium
• Chemical name: Zirconium Amdie Cylic O complex with cis configuration
• Formula: C28 H82 N6 O2 Si8 Zr2
• Calculated formula: C28 H82 N6 O2 Si8 Zr2
• SMILES: C1[O]2[Zr](N([Si]1(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N(C)C)[O]1C[Si](C)(C)N([Si](C)(C)C)[Zr]21(N([Si](C)(C)C)[Si](C)(C)C)N(C)C
• 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: 10.127 ± 0.003 Å
• b: 18.772 ± 0.005 Å
• c: 26.205 ± 0.007 Å
• α: 90°
• β: 93.136 ± 0.005°
• γ: 90°
• Cell volume: 4974 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No