Information card for entry 4083740

Structure parameters

• Formula: C38 H44 B Cu F4 N4
• Calculated formula: C38 H44 B Cu F4 N4
• Title of publication: Use of Ring-Expanded Diamino- and Diamidocarbene Ligands in Copper Catalyzed Azide‒Alkyne “Click” Reactions
• Authors of publication: Collins, Lee R.; Rookes, Thomas M.; Mahon, Mary F.; Riddlestone, Ian M.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5882
• a: 17.412 ± 0.0004 Å
• b: 10.642 ± 0.0003 Å
• c: 20.469 ± 0.0005 Å
• α: 90°
• β: 111.348 ± 0.001°
• γ: 90°
• Cell volume: 3532.63 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No