Information card for entry 7033249

Structure parameters

• Formula: C38 H50 Cu2 F12 N10 P2
• Calculated formula: C38 H50 Cu2 F12 N10 P2
• SMILES: C12N(C=CN1c1cccc(n1)N1C=CN(C1=[Cu]1[Cu]=2=C2N(CCCC)C=CN2c2cccc(N3C=1N(C=C3)CCCC)n2)CCCC)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Simple synthesis of neutral and cationic Cu-NHC complexes.
• Authors of publication: Liu, Bo; Ma, Xueji; Wu, Feifei; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1836 - 1844
• a: 23.3578 ± 0.0014 Å
• b: 12.8016 ± 0.0006 Å
• c: 17.0511 ± 0.0009 Å
• α: 90°
• β: 116.39 ± 0.007°
• γ: 90°
• Cell volume: 4567.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No