Information card for entry 7046602

Structure parameters

• Formula: C32 H72 Cu4 I4 Se4
• Calculated formula: C32 H72 Cu4 I4 Se4
• SMILES: C(C)(C)(C)[Se]([Cu]123[I]4[Cu]53([Se](C(C)(C)C)C(C)(C)C)[I]1[Cu]13([Se](C(C)(C)C)C(C)(C)C)[I]2[Cu]43([Se](C(C)(C)C)C(C)(C)C)[I]51)C(C)(C)C
• Title of publication: Precursor-mediated synthesis of Cu_2-xSe nanoparticles and their composites with TiO₂ for improved photocatalysis.
• Authors of publication: Gahlot, Sweta; Jeanneau, Erwann; Dappozze, Frederic; Guillard, Chantal; Mishra, Shashank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 8897 - 8905
• a: 14.7484 ± 0.0004 Å
• b: 14.7713 ± 0.0003 Å
• c: 22.8613 ± 0.0007 Å
• α: 90°
• β: 97.39 ± 0.003°
• γ: 90°
• Cell volume: 4939 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections: 0.2373
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9738
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No