Information card for entry 4341531

Structure parameters

• Formula: C60 H44 Cu3 F18 N16 P3
• Calculated formula: C60 H44 Cu3 F18 N16 P3
• SMILES: [Cu]12345[Cu]6789[Cu]%10%111(C12N(Cc2cccc[n]42)C=CN1c1ccc2ccc4ccc([n]%11c4c2[n]%101)N1C=6N(C=C1)Cc1ccccn1)=C1N(c2ccc4ccc6ccc(N%10C37N(Cc3cccc[n]53)C=C%10)[n]8c6c4[n]92)C=CN1Cc1ccccn1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.
• Authors of publication: Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10485 - 10497
• a: 15.8032 ± 0.0009 Å
• b: 25.7223 ± 0.0014 Å
• c: 17.5863 ± 0.0008 Å
• α: 90°
• β: 96.175 ± 0.005°
• γ: 90°
• Cell volume: 7107.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No