Information card for entry 7001887

Structure parameters

• Formula: C20.25 H29.5 Cu2 F12 N8 O1.25 P2
• Calculated formula: C18 H24 Cu2 F12 N8 P2
• SMILES: C1N2C(N(C)C=C2)=[Cu]=C2N(C=CN2C)CN2C(N(C=C2)C)=[Cu]=C2N1C=CN2C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structural and spectroscopic properties of a copper(I)‒bis(N-heterocyclic)carbene complex
• Authors of publication: Matsumoto, Kenji; Matsumoto, Norimasa; Ishii, Ayumi; Tsukuda, Toshiaki; Hasegawa, Miki; Tsubomura, Taro
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 34
• Pages of publication: 6795 - 6801
• a: 18.904 ± 0.011 Å
• b: 14.058 ± 0.007 Å
• c: 14.336 ± 0.008 Å
• α: 90°
• β: 111.16 ± 0.008°
• γ: 90°
• Cell volume: 3553 ± 3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.2856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No