Information card for entry 4341528

Structure parameters

• Formula: C80 H60 Cu2 F12 N12 O2 P2
• Calculated formula: C80 H60 Cu2 F12 N12 O2 P2
• SMILES: [Cu]123[Cu]4(=C5N(Cc6ccccc6)c6ccccc6N5c5ccc6ccc7ccc([n]3c7c6[n]25)Nc2ccccc2N(C=O)Cc2ccccc2)[n]2c(ccc3ccc5ccc([n]4c5c23)Nc2ccccc2N(C=O)Cc2ccccc2)N2C=1N(Cc1ccccc1)c1ccccc21.[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: 20.459 ± 0.0012 Å
• b: 15.9971 ± 0.0008 Å
• c: 26.464 ± 0.0018 Å
• α: 90°
• β: 108.215 ± 0.007°
• γ: 90°
• Cell volume: 8227.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1009
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No