Information card for entry 7703561

Structure parameters

• Formula: C51 H93 Cl N2 O5 Rh Si Ta
• Calculated formula: C51 H93 Cl N2 O5 Rh Si Ta
• SMILES: [Ta](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(CN1C(=[Rh]234(Cl)[CH]5=[CH]2CC[CH]3=[CH]4CC5)N(c2c(cc(C)cc2C)C)C=C1)C)(CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C
• 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: 14.7519 ± 0.0008 Å
• b: 15.0383 ± 0.0009 Å
• c: 15.888 ± 0.0008 Å
• α: 68.473 ± 0.005°
• β: 71.745 ± 0.005°
• γ: 85.878 ± 0.005°
• Cell volume: 3110.1 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections: 0.1301
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9557
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No