Information card for entry 4003616

Structure parameters

• Formula: C41 H51 Cl2 Cu N2
• Calculated formula: C41 H51 Cl2 Cu N2
• 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: 18.4735 ± 0.0004 Å
• b: 10.151 ± 0.0002 Å
• c: 19.3448 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3627.62 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No