Information card for entry 7004179

Structure parameters

• Formula: C22 H42 N4 O Si Zr
• Calculated formula: C22 H42 N4 O Si Zr
• SMILES: [Zr]1234567([N]([Si]([c]83[c]4([c]5([c]6([c]78C)C)C)C)(C)C)=C(N1[C@@H](C(C)(C)C)CO2)N(C)C)N(C)C
• Title of publication: Constrained geometry aminooxazolinate ligands giving chiral zirconium guanidinates; catalytic cyclohydroamination
• Authors of publication: Gott, Andrew L.; Clarkson, Guy J.; Deeth, Robert J.; Hammond, Max. L.; Morton, Colin; Scott, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2983 - 2990
• a: 9.8832 ± 0.0002 Å
• b: 15.3216 ± 0.0003 Å
• c: 17.2098 ± 0.0003 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2606.02 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No