Information card for entry 7124211

Structure parameters

• Formula: C35.25 H43.5 Cl0.5 Cu N6 O2 S
• Calculated formula: C35.25 H43.5 Cl0.5 Cu N6 O2 S
• 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: 15.786 ± 0.003 Å
• b: 22.886 ± 0.004 Å
• c: 40.989 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14808 ± 5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.238
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No