Information card for entry 4348796

Structure parameters

• Formula: C38 H50 Cu2 F12 N10 P2
• Calculated formula: C38 H50 Cu2 F12 N10 P2
• SMILES: [Cu]12([Cu]34[n]5c(CN6C=3N(C(C)C)C=C6)cccc5CN3C=4N(C=C3)C(C)C)[n]3c(CN4C=1N(C(C)C)C=C4)cccc3CN1C=2N(C=C1)C(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.
• Authors of publication: Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11685 - 11693
• a: 11.8254 ± 0.0005 Å
• b: 11.9626 ± 0.0005 Å
• c: 17.9274 ± 0.0007 Å
• α: 80.587 ± 0.001°
• β: 78.93 ± 0.001°
• γ: 64.446 ± 0.001°
• Cell volume: 2236.05 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No