Information card for entry 4513994

Structure parameters

• Formula: C46 H52 Cu2 N10
• Calculated formula: C46 H52 Cu2 N10
• SMILES: [Cu]1([n]2n([Cu]([n]3n1cnc3)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)cnc2)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones
• Authors of publication: Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 238
• a: 15.431 ± 0.005 Å
• b: 16.964 ± 0.005 Å
• c: 23.348 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6112 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2579
• Residual factor for significantly intense reflections: 0.1642
• Weighted residual factors for significantly intense reflections: 0.3988
• Weighted residual factors for all reflections included in the refinement: 0.4354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.354
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No