Information card for entry 7241701

Structure parameters

• Formula: C27 H41 Cu F6 N2 O1.5 Sb
• Calculated formula: C27 H41 Cu F6 N2 O1.5 Sb
• Title of publication: Synthesis and characterization of N-heterocyclic carbene-MOEt₂ complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]⁺ species.
• Authors of publication: Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 1577 - 1583
• a: 27.8 ± 0.001 Å
• b: 27.8 ± 0.001 Å
• c: 21.5997 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14456.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No