Information card for entry 4083739

Structure parameters

• Formula: C22 H28 B0.5 Cu0.5 F2 N2
• Calculated formula: C22 H28 B0.5 Cu0.5 F2 N2
• 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: 14.973 ± 0.0002 Å
• b: 16.465 ± 0.0002 Å
• c: 17.081 ± 0.0002 Å
• α: 90°
• β: 96.643 ± 0.001°
• γ: 90°
• Cell volume: 4182.71 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No