Information card for entry 4077802

Structure parameters

• Formula: C31 H64 N4 Si3 Zr
• Calculated formula: C31 H64 N4 Si3 Zr
• SMILES: [Zr]123(N([Si](C)(C)C(C)(C)C)CC[N]3(CCN1[Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C)Cc1ccccc1
• Title of publication: Triamidoamine Chemistry of Zirconium
• Authors of publication: Morton, Colin; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4608
• a: 12.0082 ± 0.0015 Å
• b: 18.663 ± 0.003 Å
• c: 18.131 ± 0.003 Å
• α: 90°
• β: 108.883 ± 0.005°
• γ: 90°
• Cell volume: 3844.6 ± 1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No