Information card for entry 4003615

Structure parameters

• Formula: C28 H41 Cl Cu N
• Calculated formula: C28 H41 Cl Cu N
• Title of publication: Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
• Authors of publication: Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 11.694 ± 0.0002 Å
• b: 10.3459 ± 0.0002 Å
• c: 20.8452 ± 0.0004 Å
• α: 90°
• β: 90.626 ± 0.002°
• γ: 90°
• Cell volume: 2521.81 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No