Information card for entry 7700117

Structure parameters

• Formula: C27 H21 Br Cu N S2
• Calculated formula: C27 H21 Br Cu N S2
• Title of publication: Oxidative C-C bond formation and C-N bond cleavage catalyzed by complexes of copper(i) with acridine based (E N E) pincers (E = S/Se), recyclable as a catalyst.
• Authors of publication: Gupta, Sonu; Dubey, Pooja; Singh, Ajai K.; Jain, Nidhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 10129 - 10137
• a: 13.3598 ± 0.0011 Å
• b: 10.905 ± 0.0009 Å
• c: 15.8704 ± 0.0014 Å
• α: 90°
• β: 95.426 ± 0.002°
• γ: 90°
• Cell volume: 2301.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No