Information card for entry 7703559

Structure parameters

• Formula: C39 H65 Cl N2 O Rh Ta
• Calculated formula: C39 H65 Cl N2 O Rh Ta
• SMILES: [Ta](OC(CN2C(=[Rh]345(Cl)[CH]6=[CH]3CC[CH]4=[CH]5CC6)N(C=C2)c2c(cc(cc2C)C)C)(C)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: 10.0011 ± 0.0007 Å
• b: 15.523 ± 0.001 Å
• c: 26.6754 ± 0.0019 Å
• α: 90°
• β: 94.253 ± 0.006°
• γ: 90°
• Cell volume: 4129.9 ± 0.5 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections: 0.1813
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No