Information card for entry 7700205

Structure parameters

• Formula: C33 H39 Cu N2 S2
• Calculated formula: C33 H39 Cu N2 S2
• Title of publication: Synthesis of copper(i) cyclic (alkyl)(amino)carbene complexes with potentially bidentate N^N, N^S and S^S ligands for efficient white photoluminescence.
• Authors of publication: Romanov, Alexander S.; Chotard, Florian; Rashid, Jahan; Bochmann, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15445 - 15454
• a: 15.6402 ± 0.0004 Å
• b: 10.5052 ± 0.0003 Å
• c: 18.504 ± 0.0004 Å
• α: 90°
• β: 95.757 ± 0.002°
• γ: 90°
• Cell volume: 3024.94 ± 0.13 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No