Information card for entry 7124208

Structure parameters

• Formula: C35 H44 Cu F3 N6 O2
• Calculated formula: C35 H40 Cu F3 N6 O2
• Title of publication: Cu‒NHC azide complex: synthesis and reactivity
• Authors of publication: Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.2657 ± 0.0015 Å
• b: 12.5469 ± 0.0014 Å
• c: 14.0728 ± 0.0019 Å
• α: 110.157 ± 0.003°
• β: 107.483 ± 0.002°
• γ: 91.407 ± 0.0015°
• Cell volume: 1919.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0624
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No