Information card for entry 4341532

Structure parameters

• Formula: C60 H44 Cu5 I5 N16
• Calculated formula: C60 H44 Cu5 I5 N16
• SMILES: [Cu]123[Cu]45([I]1)[n]1c(N6C=CN7Cc8[n]([Cu]9%10[Cu]%11([I]9)([n]9c(N%12C=CN(Cc%13[n]2cccc%13)C=5%12)ccc2ccc5ccc([n]%11c5c92)N2C=CN(C=%102)Cc2ncccc2)=C67)cccc8)ccc2ccc5ccc([n]4c5c12)N1C=CN(C=31)Cc1ncccc1.[Cu](I)([I-])[I-]
• 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: 15.0428 ± 0.0005 Å
• b: 16.5362 ± 0.0007 Å
• c: 17.0387 ± 0.0007 Å
• α: 90.682 ± 0.003°
• β: 93.796 ± 0.003°
• γ: 98.397 ± 0.003°
• Cell volume: 4182.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No