Information card for entry 7055891

Structure parameters

• Formula: C42 H38 Cu N P2 S2
• Calculated formula: C42 H38 Cu N P2 S2
• SMILES: C1(C2=C(CCC2)N)=[S][Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1
• Title of publication: Observation of enhanced photocurrent response in M‒CuInS2 (M = Au, Ag) heteronanostructures: phase selective synthesis and application
• Authors of publication: Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Maji, Swarup Kumar; Adhikary, Bibhutosh
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 692
• a: 10.6096 ± 0.0007 Å
• b: 12.9537 ± 0.0008 Å
• c: 14.5386 ± 0.0009 Å
• α: 84.106 ± 0.002°
• β: 72.903 ± 0.002°
• γ: 72.028 ± 0.002°
• Cell volume: 1816.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No