Information card for entry 4327000

Structure parameters

• Formula: C44 H54 N6 Si2 Zr2
• Calculated formula: C44 H54 N6 Si2 Zr2
• SMILES: CN(C)[Zr]1(N(C)C)N([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Zr](N(C)C)(N(C)C)N1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides
• Authors of publication: Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12053 - 12063
• a: 9.57 ± 0.0001 Å
• b: 11.454 ± 0.0001 Å
• c: 20.205 ± 0.0002 Å
• α: 90°
• β: 98.163 ± 0.001°
• γ: 90°
• Cell volume: 2192.33 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No