Information card for entry 2311842

Structure parameters

• Chemical name: Bis[μ-1,3-bis(3-<i>tert</i>-butylimidazolin-2-yliden-1-yl)pyridine]-1κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^;2κ^4^<i>C</i>^2^,<i>N</i>:<i>N</i>,<i>C</i>^2'^-dicopper(I) bis(hexafluoridophosphate)
• Formula: C38 H50 Cu2 F12 N10 P2
• Calculated formula: C38 H50 Cu2 F12 N10 P2
• SMILES: C12=[Cu]34=C5N(C=CN5C(C)(C)C)c5cccc6[n]35[Cu]3(=C5N(c7[n]43c(ccc7)N2C=CN1C(C)(C)C)C=CN5C(C)(C)C)=C1N6C=CN1C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure and spectroscopic properties of the dimeric copper(I) N-heterocyclic carbene complex [Cu₂(CNC(t-Bu))₂](PF₆)₂.
• Authors of publication: Riener, Korbinian; Pöthig, Alexander; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 8
• Pages of publication: 643 - 646
• a: 8.9698 ± 0.0004 Å
• b: 12.4288 ± 0.0005 Å
• c: 20.3978 ± 0.0008 Å
• α: 90°
• β: 90.7276 ± 0.0017°
• γ: 90°
• Cell volume: 2273.84 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No