Information card for entry 7703562

Structure parameters

• Formula: C55 H111 N2 O9 Si2 Ta
• Calculated formula: C55 H109 N2 O9 Si2 Ta
• SMILES: [Ta](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)CN1C=CN([C]1)c1c(cc(cc1C)C)C)(CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C.[Si](OC(C)(C)C)(OC(C)(C)C)(OC(C)(C)C)O
• Title of publication: Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.
• Authors of publication: Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3120 - 3128
• a: 9.7495 ± 0.0004 Å
• b: 16.7483 ± 0.0007 Å
• c: 21.3697 ± 0.0008 Å
• α: 95.525 ± 0.003°
• β: 102.339 ± 0.003°
• γ: 93.414 ± 0.003°
• Cell volume: 3381.4 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No