Information card for entry 7700206

Structure parameters

• Formula: C45 H66 Cu N3
• Calculated formula: C45 H66 Cu N3
• 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: 11.8424 ± 0.0002 Å
• b: 13.8008 ± 0.0004 Å
• c: 15.1018 ± 0.0004 Å
• α: 110.681 ± 0.002°
• β: 93.732 ± 0.002°
• γ: 111.814 ± 0.002°
• Cell volume: 2088.29 ± 0.11 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No