Information card for entry 4085261

Structure parameters

• Formula: C41.25 H57 B Cu F4 N4
• Calculated formula: C41.25 H54 B Cu F4 N4
• SMILES: [Cu](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(CCN1C)c1c(cc(cc1C)C)C.[B](F)(F)(F)[F-].N#CC
• Title of publication: Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes
• Authors of publication: Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 419
• a: 10.9809 ± 0.0014 Å
• b: 19.3897 ± 0.0018 Å
• c: 22.453 ± 0.005 Å
• α: 113.875 ± 0.011°
• β: 92.39 ± 0.03°
• γ: 103.81 ± 0.018°
• Cell volume: 4193.4 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.2836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No