Information card for entry 7016420

Structure parameters

• Formula: C30 H30 Cu4 N4 Se4
• Calculated formula: C30 H30 Cu4 N4 Se4
• SMILES: c12c(ccc[n]1[Cu]1345[Cu]6789[n]%10c(c(ccc%10)C)[Se]4[Cu]4%1037[n]3c(c(ccc3)C)[Se]5[Cu]164([n]1c(c(ccc1)C)[Se]9%10)[Se]28)C.c1ccccc1
• Title of publication: Copper(i) 2-pyridyl selenolates and tellurolates: Synthesis, structures and their utility as molecular precursors for the preparation of copper chalcogenide nanocrystals and thin films.
• Authors of publication: Sharma, Rakesh K.; Kedarnath, G.; Jain, Vimal K.; Wadawale, Amey; Pillai, C. G. S.; Nalliath, Manoj; Vishwanadh, B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9194 - 9201
• a: 20 ± 0.004 Å
• b: 19.505 ± 0.005 Å
• c: 19.639 ± 0.005 Å
• α: 90°
• β: 118.418 ± 0.017°
• γ: 90°
• Cell volume: 6738 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3519
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No