Information card for entry 7113628

Structure parameters

• Formula: C36 H71 Cl N7 O3 Ta
• Calculated formula: C36 H71 Cl N7 O3 Ta
• SMILES: [Ta]123(Cl)([N](C(C)C)=C(N1CCN2C(=[N]3C(C)C)NC(C)C)NC(C)C)(=Nc1c(cccc1C)C)[O]1CCCC1.O(CC)CC.O(CC)CC
• Title of publication: Catalytic C=N bond metathesis of carbodiimides by group 4 and 5 imido complexes supported by guanidinate ligands
• Authors of publication: Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2612 - 2613
• a: 9.002 ± 0.003 Å
• b: 22.236 ± 0.005 Å
• c: 21.629 ± 0.009 Å
• α: 90°
• β: 95.98 ± 0.03°
• γ: 90°
• Cell volume: 4306 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.1241
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2398
• Weighted residual factors for all reflections included in the refinement: 0.2689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104858
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No