Information card for entry 7124213

Structure parameters

• Formula: C38 H46 Cu N6 O3 S
• Calculated formula: C38 H46 Cu N6 O3 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: 10.2797 ± 0.0007 Å
• b: 12.4184 ± 0.001 Å
• c: 16.0996 ± 0.0018 Å
• α: 85.056 ± 0.009°
• β: 75.371 ± 0.007°
• γ: 71.777 ± 0.007°
• Cell volume: 1888.8 ± 0.3 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: 0.0679
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No