Information card for entry 7039664

Structure parameters

• Formula: C29 H46 Cu2 F12 N8 O P2
• Calculated formula: C29 H46 Cu2 F12 N8 O P2
• SMILES: [Cu]12[Cu](=C3N(C=CN3CCCN3C=1N(CC)C=C3)CC)=C1N(CC)C=CN1CCCN1C=2N(CC)C=C1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Emission properties and Cu(i)-Cu(i) interaction in 2-coordinate dicopper(i)-bis(N-heterocyclic)carbene complexes.
• Authors of publication: Nishikawa, Michihiro; Sano, Taichi; Washimi, Masaya; Takao, Koichiro; Tsubomura, Taro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12127 - 12136
• a: 7.815 ± 0.004 Å
• b: 12.3 ± 0.007 Å
• c: 20.279 ± 0.012 Å
• α: 87.868 ± 0.011°
• β: 87.445 ± 0.01°
• γ: 83.528 ± 0.01°
• Cell volume: 1933.9 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No