Information card for entry 7700207

Structure parameters

• Formula: C47 H71 Cu N4
• Calculated formula: C47 H71 Cu N4
• 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: 14.3631 ± 0.0004 Å
• b: 17.2867 ± 0.0004 Å
• c: 18.3895 ± 0.0005 Å
• α: 90°
• β: 102.166 ± 0.003°
• γ: 90°
• Cell volume: 4463.4 ± 0.2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No