Information card for entry 7004180

Structure parameters

• Formula: C20 H34 N4 Si Zr
• Calculated formula: C20 H34 N4 Si Zr
• SMILES: [Zr]123456(N(c7cccc[n]17)[Si](C)(C)[c]14[c]5([c]6([c]2([c]31C)C)C)C)(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: 10.0781 ± 0.0004 Å
• b: 17.2011 ± 0.0007 Å
• c: 12.9809 ± 0.0005 Å
• α: 90°
• β: 92.563 ± 0.001°
• γ: 90°
• Cell volume: 2248.05 ± 0.15 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1403
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.2914
• Weighted residual factors for all reflections included in the refinement: 0.3184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No