Information card for entry 7045000

Structure parameters

• Formula: C54 H54 Cu Ga N4 O3 P2 S6
• Calculated formula: C54 H54 Cu Ga N4 O3 P2 S6
• SMILES: C1(=[S][Ga]23(S1)[S]=C(C1=C(CCC1)N)S[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]2C(=[S]3)C1=C(CCC1)N)C1=C(CCC1)N.N(=O)(=O)[O-]
• Title of publication: Single source precursor driven phase selective synthesis of Au-CuGaS₂ heteronanostructures: an observation of plasmon enhanced photocurrent efficiency.
• Authors of publication: Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Satra, Jit; Adhikary, Bibhutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1071 - 1081
• a: 13.294 ± 0.0011 Å
• b: 14.7257 ± 0.0012 Å
• c: 15.9249 ± 0.0013 Å
• α: 64.196 ± 0.002°
• β: 80.02 ± 0.002°
• γ: 78.737 ± 0.003°
• Cell volume: 2738.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No